CAS RN: 5547-67-1
CAS Name: 4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
OPENEYE Name: 4,5-difluoro-N-(3-fluorophenyl)-2-methyl-benzamide
IUPAC Name: 4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
SYSTEMATIC NAME: 4,5-bis(fluoranyl)-N-(3-fluorophenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C14H10F3NO
MOLECULAR WEIGHT: 265.23051
SMILES: CC1=CC(=C(C=C1C(=O)NC2=CC(=CC=C2)F)F)F
Structure:
CAS RN: 37489-48-8
CAS Name: 3-(4-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(4-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(4-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H15ClN2S
MOLECULAR WEIGHT: 266.7896
SMILES: CC1=CC(NC(=S)N1C2=CC=C(C=C2)Cl)(C)C
Structure:
CAS RN: 21780-68-7
CAS Name: 1-(4-methoxyphenyl)-3-(2-pyridinyl)thiourea
OPENEYE Name: 1-(4-methoxyphenyl)-3-(2-pyridyl)thiourea
IUPAC Name: 1-(4-methoxyphenyl)-3-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C13H13N3OS
MOLECULAR WEIGHT: 259.32682
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2
Structure:
CAS RN: 108132-58-7
CAS Name: 1,3-benzodioxol-5-yl-(3,5-dimethyl-1-pyrazolyl)methanone
OPENEYE Name: 1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
IUPAC Name: 1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C
Structure:
CAS RN: 16629-40-6
CAS Name: 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-phenyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H10N4S
MOLECULAR WEIGHT: 254.3103
SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3
Structure:
CAS RN: 26131-61-3
CAS Name: 4-ethyl-3-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CCN1C(=NNC1=S)C2=CC=CC=C2
Structure:
CAS RN: 4651-72-3
CAS Name: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone
OPENEYE Name: (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-phenyl-methanone
IUPAC Name: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone
SYSTEMATIC NAME: (2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C15H15NOS
MOLECULAR WEIGHT: 257.3507
SMILES: C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 51626-47-2
CAS Name: 3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
OPENEYE Name: 3-[(1S)-2-nitro-1-phenyl-ethyl]-1H-indole
IUPAC Name: 3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
SYSTEMATIC NAME: 3-[(1S)-2-nitro-1-phenyl-ethyl]-1H-indole
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1=CC=C(C=C1)[C@H](C[N+](=O)[O-])C2=CNC3=CC=CC=C32
Structure:
CAS RN: 51626-47-2
CAS Name: 3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
OPENEYE Name: 3-[(1R)-2-nitro-1-phenyl-ethyl]-1H-indole
IUPAC Name: 3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
SYSTEMATIC NAME: 3-[(1R)-2-nitro-1-phenyl-ethyl]-1H-indole
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])C2=CNC3=CC=CC=C32
Structure:
CAS RN: 5949-45-1
CAS Name: 2-amino-1,1-bis(4-chlorophenyl)ethanol
OPENEYE Name: 2-amino-1,1-bis(4-chlorophenyl)ethanol
IUPAC Name: 2-amino-1,1-bis(4-chlorophenyl)ethanol
SYSTEMATIC NAME: 2-azanyl-1,1-bis(4-chlorophenyl)ethanol
MOLECULAR FORMULA: C14H13Cl2NO
MOLECULAR WEIGHT: 282.16512
SMILES: C1=CC(=CC=C1C(CN)(C2=CC=C(C=C2)Cl)O)Cl
Structure:
CAS RN: 5655-38-9
CAS Name: N-(2-fluorophenyl)-4-thiophen-2-yl-2-thiazolamine
OPENEYE Name: N-(2-fluorophenyl)-4-(2-thienyl)thiazol-2-amine
IUPAC Name: N-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C13H9FN2S2
MOLECULAR WEIGHT: 276.352363
SMILES: C1=CC=C(C(=C1)NC2=NC(=CS2)C3=CC=CS3)F
Structure:
CAS RN: 95356-75-5
CAS Name: (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-thiazolo[2,3-c][1,2,4]triazolone
OPENEYE Name: (6E)-6-[[4-(dimethylamino)phenyl]methylene]thiazolo[2,3-c][1,2,4]triazol-5-one
IUPAC Name: (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SYSTEMATIC NAME: (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C=NN=C3S2
Structure:
CAS RN: 2407-83-2
CAS Name: (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
OPENEYE Name: (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole
IUPAC Name: (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
SYSTEMATIC NAME: (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethyl-pyrrole
MOLECULAR FORMULA: C17H24N2
MOLECULAR WEIGHT: 256.38586
SMILES: CCC1=C(/C(=C/C2=C(C(=C(N2)C)CC)C)/N=C1C)C
Structure:
CAS RN: 49600-34-2
CAS Name: (6-methyl-2-pyridinyl)thiourea
OPENEYE Name: (6-methyl-2-pyridyl)thiourea
IUPAC Name: (6-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1-(6-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C7H9N3S
MOLECULAR WEIGHT: 167.23146
SMILES: CC1=NC(=CC=C1)NC(=S)N
Structure:
CAS RN: 5935-50-2
CAS Name: 1-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]-4-piperidinecarboxamide
OPENEYE Name: 1-[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]piperidine-4-carboxamide
IUPAC Name: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C17H18ClN3O3
MOLECULAR WEIGHT: 347.79612
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCC(CC3)C(=O)N
Structure:
CAS RN: 6336-50-1
CAS Name: 6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-benzyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2
Structure:
CAS RN: 5771-67-5
CAS Name: N-[3-[(tert-butylamino)-oxomethyl]phenyl]-2-thiophenecarboxamide
OPENEYE Name: N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide
IUPAC Name: N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2
Structure:
CAS RN: 247225-84-9
CAS Name: 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C9H8N4O2S
MOLECULAR WEIGHT: 236.25042
SMILES: C1=CC(=CC=C1CC2=NN=C(S2)N)[N+](=O)[O-]
Structure:
CAS RN: 5454-50-2
CAS Name: 1-phenyl-2-(7H-purin-6-ylthio)ethanone
OPENEYE Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
IUPAC Name: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
SYSTEMATIC NAME: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
MOLECULAR FORMULA: C13H10N4OS
MOLECULAR WEIGHT: 270.3097
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 83095-06-1
CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: C1CC(=O)N(C1=O)CN2CCC3=CC=CC=C3C2
Structure:
CAS RN: 5840-03-9
CAS Name: N3-phenylbenzene-1,3-diamine
OPENEYE Name: N3-phenylbenzene-1,3-diamine
IUPAC Name: 3-N-phenylbenzene-1,3-diamine
SYSTEMATIC NAME: N3-phenylbenzene-1,3-diamine
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=C(C=C1)NC2=CC=CC(=C2)N
Structure:
CAS RN: 7056-72-6
CAS Name: N,N'-bis(2-methoxyphenyl)propanediamide
OPENEYE Name: N,N'-bis(2-methoxyphenyl)propanediamide
IUPAC Name: N,N'-bis(2-methoxyphenyl)propanediamide
SYSTEMATIC NAME: N,N'-bis(2-methoxyphenyl)propanediamide
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2OC
Structure:
CAS RN: 14133-14-3
CAS Name: 9-(1-piperidinylmethyl)-3H-purine-6-thione
OPENEYE Name: 9-(1-piperidylmethyl)-3H-purine-6-thione
IUPAC Name: 9-(piperidin-1-ylmethyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(piperidin-1-ylmethyl)-3H-purine-6-thione
MOLECULAR FORMULA: C11H15N5S
MOLECULAR WEIGHT: 249.3353
SMILES: C1CCN(CC1)CN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 124928-37-6
CAS Name: N'-benzoyl-3-phenyl-1H-pyrazole-5-carbohydrazide
OPENEYE Name: N'-benzoyl-3-phenyl-1H-pyrazole-5-carbohydrazide
IUPAC Name: N'-benzoyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SYSTEMATIC NAME: 3-phenyl-N'-(phenylcarbonyl)-1H-pyrazole-5-carbohydrazide
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5785-41-1
CAS Name: 5-[(2,4-dichlorophenyl)methylthio]-1H-1,2,4-triazole
OPENEYE Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
IUPAC Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
MOLECULAR FORMULA: C9H7Cl2N3S
MOLECULAR WEIGHT: 260.14298
SMILES: C1=CC(=C(C=C1Cl)Cl)CSC2=NC=NN2
Structure:
CAS RN: 5785-29-5
CAS Name: 4-[5-[[[(3-hydroxyphenyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid
OPENEYE Name: 4-[5-[[(3-hydroxybenzoyl)hydrazono]methyl]-2-furyl]benzoic acid
IUPAC Name: 4-[5-[[(3-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[5-[[(3-hydroxyphenyl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid
MOLECULAR FORMULA: C19H14N2O5
MOLECULAR WEIGHT: 350.32486
SMILES: C1=CC(=CC(=C1)O)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 5681-22-1
CAS Name: 5-hydroxy-2-(2-methylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 5-hydroxy-2-isobutyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 5-hydroxy-2-(2-methylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 2-(2-methylpropyl)-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C9H11N3O2S
MOLECULAR WEIGHT: 225.26754
SMILES: CC(C)CC1=NN2C(=CC(=O)N=C2S1)O
Structure:
CAS RN: 145657-36-9
CAS Name: 3-(2-fluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-(2-fluoroanilino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(2-fluorophenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C14H16FNO
MOLECULAR WEIGHT: 233.281343
SMILES: CC1(CC(=CC(=O)C1)NC2=CC=CC=C2F)C
Structure:
CAS RN: 5857-40-9
CAS Name: 1-[(4-methoxyphenyl)methylamino]-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-[(4-methoxyphenyl)methylamino]-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-[(4-methoxyphenyl)methylamino]-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methylamino]-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: COC1=CC=C(C=C1)CNC2=CC(=O)OC23CCCCC3
Structure:
CAS RN: 6095-94-9
CAS Name: 3-ethyl-7-methoxy-4,8-dimethyl-1-benzopyran-2-one
OPENEYE Name: 3-ethyl-7-methoxy-4,8-dimethyl-chromen-2-one
IUPAC Name: 3-ethyl-7-methoxy-4,8-dimethylchromen-2-one
SYSTEMATIC NAME: 3-ethyl-7-methoxy-4,8-dimethyl-chromen-2-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CCC1=C(C2=C(C(=C(C=C2)OC)C)OC1=O)C
Structure:
CAS RN: 28668-95-3
CAS Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
OPENEYE Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
IUPAC Name: 1,2-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
SYSTEMATIC NAME: 1,2-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
MOLECULAR FORMULA: C9H6N4S
MOLECULAR WEIGHT: 202.23574
SMILES: C1=CC2=C3C(=NC(=S)NN3)N=C2C=C1
Structure:
CAS RN: 4046-70-2
CAS Name: 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
OPENEYE Name: 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
IUPAC Name: 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
SYSTEMATIC NAME: 5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
MOLECULAR FORMULA: C10H8N4S
MOLECULAR WEIGHT: 216.26232
SMILES: CN1C2=CC=CC=C2C3=NNC(=S)N=C31
Structure:
CAS RN: 5795-18-6
CAS Name: 2-(1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]ylidene)propanedinitrile
OPENEYE Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidenepropanedinitrile
IUPAC Name: 2-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidenepropanedinitrile
SYSTEMATIC NAME: 2-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidenepropanedinitrile
MOLECULAR FORMULA: C17H17N3
MOLECULAR WEIGHT: 263.33698
SMILES: C1CCC2(CC1)CC3=CC=CC=C3C(=C(C#N)C#N)N2
Structure:
CAS RN: 5219-85-2
CAS Name: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanedinitrile
OPENEYE Name: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanedinitrile
IUPAC Name: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanedinitrile
SYSTEMATIC NAME: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanedinitrile
MOLECULAR FORMULA: C14H13N3
MOLECULAR WEIGHT: 223.27312
SMILES: CC1(CC2=CC=CC=C2C(=C(C#N)C#N)N1)C
Structure:
No comments:
Post a Comment