CAS RN: 20865-45-6
CAS Name: 4-amino-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-amino-5-butyl-2-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-amino-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-5-butyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C9H13N3O2S
MOLECULAR WEIGHT: 227.28342
SMILES: CCCCC1=C(NC(=S)N=C1N)C(=O)O
Structure:
CAS RN: 54091-00-8
CAS Name: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-phenylthiourea
OPENEYE Name: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-phenyl-thiourea
IUPAC Name: 1-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)-3-phenylthiourea
SYSTEMATIC NAME: 1-(methyl-oxidanylidene-phenyl-$l^{6}-sulfanylidene)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H14N2OS2
MOLECULAR WEIGHT: 290.40376
SMILES: CS(=NC(=S)NC1=CC=CC=C1)(=O)C2=CC=CC=C2
Structure:
CAS RN: 5613-55-8
CAS Name: 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester
OPENEYE Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridine-2-carboxylate
IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
SYSTEMATIC NAME: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C13H14Cl3N3O3
MOLECULAR WEIGHT: 366.62756
SMILES: C1CCC(C1)NC(=O)COC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl
Structure:
CAS RN: 5020-62-2
CAS Name: 4-[4-chloro-2-(6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[4-chloro-2-(6-methoxy-2-pyridyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[4-chloro-2-(6-methoxypyridin-2-yl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[4-chloranyl-2-(6-methoxypyridin-2-yl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C19H19ClF3N3O
MOLECULAR WEIGHT: 397.82187
SMILES: COC1=CC=CC(=N1)C2=C(C3=C(C=CC(=C3N2)C(F)(F)F)Cl)CCCCN
Structure:
CAS RN: 6234-35-1
CAS Name: 4-[4-[[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[4-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
IUPAC Name: ethyl 4-[4-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[4-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C25H30N4O5S2
MOLECULAR WEIGHT: 530.6595
SMILES: CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)C)C
Structure:
CAS RN: 5545-25-5
CAS Name: N-(4-ethylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-(4-ethylphenyl)-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-(4-ethylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-ethylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C20H22N4OS
MOLECULAR WEIGHT: 366.47988
SMILES: CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)C
Structure:
CAS RN: 31349-88-9
CAS Name: 5-(2-naphthalenylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-(2-naphthylmethyl)-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-(naphthalen-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-(naphthalen-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C16H12N2O2S
MOLECULAR WEIGHT: 296.34368
SMILES: C1=CC=C2C=C(C=CC2=C1)CC3=C(NC(=S)NC3=O)C=O
Structure:
CAS RN: 5637-58-1
CAS Name: 3-chloro-N-[2-[1-(2,6-dimethylphenyl)-5-tetrazolyl]propan-2-yl]aniline
OPENEYE Name: 3-chloro-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-methyl-ethyl]aniline
IUPAC Name: 3-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]aniline
SYSTEMATIC NAME: 3-chloranyl-N-[2-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]propan-2-yl]aniline
MOLECULAR FORMULA: C18H20ClN5
MOLECULAR WEIGHT: 341.8379
SMILES: CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 6153-49-7
CAS Name: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
OPENEYE Name: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
IUPAC Name: N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C15H11ClN2O2
MOLECULAR WEIGHT: 286.71304
SMILES: CC(=O)NC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl
Structure:
CAS RN: 6040-56-8
CAS Name: 3-(6-chloro-3-imidazo[1,2-a]pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone
OPENEYE Name: 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
IUPAC Name: 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(6-chloranylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C28H23ClF6N4O
MOLECULAR WEIGHT: 580.951839
SMILES: C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CC(C3=CC(=CC=C3)C(F)(F)F)C4=CN=C5N4C=C(C=C5)Cl
Structure:
CAS RN: 6036-27-7
CAS Name: N-(3-chloro-4-methylphenyl)-2-(3,5-dimethoxyphenyl)-3-thiazolidinecarboxamide
OPENEYE Name: N-(3-chloro-4-methyl-phenyl)-2-(3,5-dimethoxyphenyl)thiazolidine-3-carboxamide
IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
MOLECULAR FORMULA: C19H21ClN2O3S
MOLECULAR WEIGHT: 392.89964
SMILES: CC1=C(C=C(C=C1)NC(=O)N2CCSC2C3=CC(=CC(=C3)OC)OC)Cl
Structure:
CAS RN: 6505-02-8
CAS Name: 7-amino-5-(2-furanyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-amino-5-(2-furyl)-4-oxo-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 7-amino-5-(furan-2-yl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-azanyl-5-(furan-2-yl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C14H13N3O5S
MOLECULAR WEIGHT: 335.33512
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC=CO3)C(=O)NC(=S)N2)N
Structure:
CAS RN: 5092-59-1
CAS Name: 1-[4-(5-chloro-2-ethoxyphenyl)-2-thiazolyl]-N-methylethanamine
OPENEYE Name: 1-[4-(5-chloro-2-ethoxy-phenyl)thiazol-2-yl]-N-methyl-ethanamine
IUPAC Name: 1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SYSTEMATIC NAME: 1-[4-(5-chloranyl-2-ethoxy-phenyl)-1,3-thiazol-2-yl]-N-methyl-ethanamine
MOLECULAR FORMULA: C14H17ClN2OS
MOLECULAR WEIGHT: 296.81558
SMILES: CCOC1=C(C=C(C=C1)Cl)C2=CSC(=N2)C(C)NC
Structure:
CAS RN: 7226-73-5
CAS Name: dicopper; 1-cyclohexyl-1-(3-dioxaziridinyl)-N,N-dihydroxymethanamine; ethane-1,1-diol; 2-(2-piperidin-1-idyl)piperidin-1-ide; hydrate
OPENEYE Name: dicopper; 1-cyclohexyl-1-(dioxaziridin-3-yl)-N,N-dihydroxy-methanamine; ethane-1,1-diol; 2-piperidin-1-id-2-ylpiperidin-1-ide; hydrate
IUPAC Name: dicopper; 1-cyclohexyl-1-(dioxaziridin-3-yl)-N,N-dihydroxymethanamine; ethane-1,1-diol; 2-piperidin-1-id-2-ylpiperidin-1-ide; hydrate
SYSTEMATIC NAME: dicopper; 1-cyclohexyl-1-(1,2,3-dioxaziridin-3-yl)-N,N-bis(oxidanyl)methanamine; ethane-1,1-diol; 2-piperidin-1-id-2-ylpiperidin-1-ide; hydrate
MOLECULAR FORMULA: C29H58Cu2N6O7
MOLECULAR WEIGHT: 729.89882
SMILES: CC(O)O.C1CCC(CC1)C(N2OO2)N(O)O.C1CC[N-]C(C1)C2CCCC[N-]2.C1CC[N-]C(C1)C2CCCC[N-]2.O.[Cu+2].[Cu+2]
Structure:
CAS RN: 6255-88-5
CAS Name: 1-[2-[(2,4-dichlorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
OPENEYE Name: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(2-thienyl)ethanone
IUPAC Name: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
SYSTEMATIC NAME: 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-yl-ethanone
MOLECULAR FORMULA: C16H14Cl2N2OS2
MOLECULAR WEIGHT: 385.33116
SMILES: C1CN(C(=N1)SCC2=C(C=C(C=C2)Cl)Cl)C(=O)CC3=CC=CS3
Structure:
CAS RN: 5391-27-5
CAS Name: 3-acetamido-N-[[5-(2-cyanophenyl)-2-furanyl]methylideneamino]benzamide
OPENEYE Name: 3-acetamido-N-[[5-(2-cyanophenyl)-2-furyl]methyleneamino]benzamide
IUPAC Name: 3-acetamido-N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]benzamide
SYSTEMATIC NAME: 3-acetamido-N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]benzamide
MOLECULAR FORMULA: C21H16N4O3
MOLECULAR WEIGHT: 372.37674
SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3C#N
Structure:
CAS RN: 5634-87-7
CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-4-(4-morpholinylsulfonyl)benzamide
OPENEYE Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-4-morpholinosulfonyl-benzamide
IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C22H23N3O4S2
MOLECULAR WEIGHT: 457.56572
SMILES: CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Structure:
CAS RN: 5634-26-4
CAS Name: 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylamino]propanoic acid
OPENEYE Name: 2-[(3,5-ditert-butyl-2-hydroxy-phenyl)methylamino]propanoic acid
IUPAC Name: 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylamino]propanoic acid
SYSTEMATIC NAME: 2-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methylamino]propanoic acid
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CC(C(=O)O)NCC1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O
Structure:
CAS RN: 5631-81-2
CAS Name: 2-(2-chloro-4-nitrophenyl)-4-[(2-methoxyphenyl)methylidene]-5-oxazolone
OPENEYE Name: 2-(2-chloro-4-nitro-phenyl)-4-[(2-methoxyphenyl)methylene]oxazol-5-one
IUPAC Name: 2-(2-chloro-4-nitrophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: 2-(2-chloranyl-4-nitro-phenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
MOLECULAR FORMULA: C17H11ClN2O5
MOLECULAR WEIGHT: 358.73264
SMILES: COC1=CC=CC=C1C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
Structure:
CAS RN: 5774-98-1
CAS Name: 4-methylbenzenesulfonic acid [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxy-1-naphthalenyl]methylidene]hydrazinyl]-1,3-dioxopropyl]hydrazinylidene]methyl]-2-naphthalenyl] ester
OPENEYE Name: [1-[[[3-oxo-3-[2-[[2-(p-tolylsulfonyloxy)-1-naphthyl]methylene]hydrazino]propanoyl]hydrazono]methyl]-2-naphthyl] 4-methylbenzenesulfonate
IUPAC Name: [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [1-[[[3-[2-[[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidene]hydrazinyl]-3-oxidanylidene-propanoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C39H32N4O8S2
MOLECULAR WEIGHT: 748.82338
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)CC(=O)NN=CC4=C(C=CC5=CC=CC=C54)OS(=O)(=O)C6=CC=C(C=C6)C
Structure:
CAS RN: 6567-64-2
CAS Name: 2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
OPENEYE Name: 2-cyano-N-(2-methoxyethyl)-5-phenyl-penta-2,4-dienamide
IUPAC Name: 2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
SYSTEMATIC NAME: 2-cyano-N-(2-methoxyethyl)-5-phenyl-penta-2,4-dienamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: COCCNC(=O)C(=CC=CC1=CC=CC=C1)C#N
Structure:
CAS RN: 5242-94-4
CAS Name: 5-ethoxy-3-methyl-4-(4-nitrophenyl)azo-1-pyrazolecarbothioamide
OPENEYE Name: 5-ethoxy-3-methyl-4-(4-nitrophenyl)azo-pyrazole-1-carbothioamide
IUPAC Name: 5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
SYSTEMATIC NAME: 5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
MOLECULAR FORMULA: C13H14N6O3S
MOLECULAR WEIGHT: 334.35366
SMILES: CCOC1=C(C(=NN1C(=S)N)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7226-71-3
CAS Name: 4-nitrobenzoic acid [2-(3-acetyl-2,2,4-trimethyl-5-oxazolidinyl)-4-methylhex-5-en-3-yl] ester
OPENEYE Name: [1-[1-(3-acetyl-2,2,4-trimethyl-oxazolidin-5-yl)ethyl]-2-methyl-but-3-enyl] 4-nitrobenzoate
IUPAC Name: [2-(3-acetyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methylhex-5-en-3-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [2-(3-ethanoyl-2,2,4-trimethyl-1,3-oxazolidin-5-yl)-4-methyl-hex-5-en-3-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C22H30N2O6
MOLECULAR WEIGHT: 418.4834
SMILES: CC1C(OC(N1C(=O)C)(C)C)C(C)C(C(C)C=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5201-11-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H77FN2O8
MOLECULAR WEIGHT: 877.174783
SMILES: CCCCCCCCCCCCOC(=O)N(CCC)C1CC(=NOCC)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO
Structure:
CAS RN: 5891-19-0
CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylbutanamide
OPENEYE Name: N-[1-[4-(2,4-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butanamide
IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C24H28Cl2N4OS
MOLECULAR WEIGHT: 491.47632
SMILES: CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C(C)NC(=O)CC(C)(C)C
Structure:
CAS RN: 5889-98-5
CAS Name: N-[2-(4-morpholinyl)ethyl]-5-(octylsulfonylamino)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide
OPENEYE Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholinoethyl)-5-(octylsulfonylamino)benzamide
IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide
SYSTEMATIC NAME: N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide
MOLECULAR FORMULA: C32H49N5O4S
MOLECULAR WEIGHT: 599.82756
SMILES: CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4
Structure:
CAS RN: 5889-37-2
CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-2-(1-pyrrolidinyl)benzamide
OPENEYE Name: 5-[(3-bromobenzoyl)amino]-N-(3-morpholinopropyl)-2-pyrrolidin-1-yl-benzamide
IUPAC Name: 5-[(3-bromobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 5-[(3-bromophenyl)carbonylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C25H31BrN4O3
MOLECULAR WEIGHT: 515.44264
SMILES: C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)C(=O)NCCCN4CCOCC4
Structure:
CAS RN: 4767-95-7
CAS Name: N-[2-[1-(4-bromophenyl)-5-tetrazolyl]ethenyl]-4-(trifluoromethoxy)aniline
OPENEYE Name: N-[2-[1-(4-bromophenyl)tetrazol-5-yl]vinyl]-4-(trifluoromethoxy)aniline
IUPAC Name: N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
SYSTEMATIC NAME: N-[2-[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]ethenyl]-4-(trifluoromethyloxy)aniline
MOLECULAR FORMULA: C16H11BrF3N5O
MOLECULAR WEIGHT: 426.19065
SMILES: C1=CC(=CC=C1NC=CC2=NN=NN2C3=CC=C(C=C3)Br)OC(F)(F)F
Structure:
CAS RN: 4801-81-4
CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylate
IUPAC Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate
MOLECULAR FORMULA: C26H32N4O3
MOLECULAR WEIGHT: 448.55728
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(N(C4=CC=CC(=C43)C)C)C(=O)OC)C
Structure:
CAS RN: 4801-20-1
CAS Name: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[2-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C29H23N5O2
MOLECULAR WEIGHT: 473.52522
SMILES: CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4CN6C(=O)C7=CC=CC=C7C6=O
Structure:
CAS RN: 4880-95-9
CAS Name: 5-[(3,4-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)-6-thiazolo[3,2-b][1,2,4]triazolone
OPENEYE Name: 5-[(3,4-diethoxyphenyl)methylene]-2-(4-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-one
IUPAC Name: 5-[(3,4-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SYSTEMATIC NAME: 5-[(3,4-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MOLECULAR FORMULA: C21H18FN3O3S
MOLECULAR WEIGHT: 411.449323
SMILES: CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)OCC
Structure:
CAS RN: 7226-70-2
CAS Name: amino(fluoro)phosphinate
OPENEYE Name: amino(fluoro)phosphinate
IUPAC Name: amino(fluoro)phosphinate
SYSTEMATIC NAME: azanyl(fluoranyl)phosphinate
MOLECULAR FORMULA: FH2NO2P-
MOLECULAR WEIGHT: 97.993544
SMILES: NP(=O)([O-])F
Structure:
CAS RN: 7226-69-9
CAS Name: 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-5-(2-methylpropyl)imidazolidine-2,4-dione
OPENEYE Name: 5-isobutyl-5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)imidazolidine-2,4-dione
IUPAC Name: 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-5-(2-methylpropyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H24N2O6
MOLECULAR WEIGHT: 328.36086
SMILES: CC(C)CC1(C(=O)NC(=O)N1)C2C3C(C(O2)OC)OC(O3)(C)C
Structure:
CAS RN: 7226-68-8
CAS Name: 4-(4-morpholinyl)-1,3,4,6-tetraphenyl-1-hex-2-en-5-ynone
OPENEYE Name: 4-morpholino-1,3,4,6-tetraphenyl-hex-2-en-5-yn-1-one
IUPAC Name: 4-morpholin-4-yl-1,3,4,6-tetraphenylhex-2-en-5-yn-1-one
SYSTEMATIC NAME: 4-morpholin-4-yl-1,3,4,6-tetraphenyl-hex-2-en-5-yn-1-one
MOLECULAR FORMULA: C34H29NO2
MOLECULAR WEIGHT: 483.59956
SMILES: C1COCCN1C(C#CC2=CC=CC=C2)(C3=CC=CC=C3)C(=CC(=O)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5480-95-5
CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester
OPENEYE Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate
IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C25H24N2O7S
MOLECULAR WEIGHT: 496.53226
SMILES: C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 5480-34-2
CAS Name: 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: methyl 2-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 2-[[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C30H24BrFN2O5S
MOLECULAR WEIGHT: 623.489363
SMILES: CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC(=CC=C4)F)OC)SC2=N1)C5=CC=CC=C5)C(=O)OC
Structure:
CAS RN: 4661-47-6
CAS Name: 3-[1-(3-phenylprop-2-enyl)-2-benzimidazolyl]-1-propanol
OPENEYE Name: 3-(1-cinnamylbenzimidazol-2-yl)propan-1-ol
IUPAC Name: 3-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
SYSTEMATIC NAME: 3-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: C1=CC=C(C=C1)C=CCN2C3=CC=CC=C3N=C2CCCO
Structure:
CAS RN: 26155-65-7
CAS Name: N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[(1-methyl-3-phenyl-prop-2-enylidene)amino]carbamodithioate
IUPAC Name: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-(4-phenylbut-3-en-2-ylideneamino)carbamodithioate
MOLECULAR FORMULA: C12H14N2S2
MOLECULAR WEIGHT: 250.38296
SMILES: CC(=NNC(=S)SC)C=CC1=CC=CC=C1
Structure:
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