CAS RN: 5305-72-6
CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide
OPENEYE Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide
MOLECULAR FORMULA: C25H25FN4O2S
MOLECULAR WEIGHT: 464.555003
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC=C4F
Structure:
CAS RN: 5305-11-3
CAS Name: 1-(cyclopentylamino)-3-methyl-2-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
OPENEYE Name: 1-(cyclopentylamino)-3-methyl-2-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
IUPAC Name: 1-(cyclopentylamino)-3-methyl-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 1-(cyclopentylamino)-3-methyl-2-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C21H24N4
MOLECULAR WEIGHT: 332.44206
SMILES: CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4CCCC4
Structure:
CAS RN: 5384-53-2
CAS Name: N-[3-chloro-4-(2-oxo-1-benzopyran-3-yl)phenyl]-3,4-dimethylbenzamide
OPENEYE Name: N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3,4-dimethyl-benzamide
IUPAC Name: N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C24H18ClNO3
MOLECULAR WEIGHT: 403.85762
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl)C
Structure:
CAS RN: 5969-53-9
CAS Name: N-hexyl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
OPENEYE Name: N-hexyl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
IUPAC Name: N-hexyl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
SYSTEMATIC NAME: N-hexyl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]ethanamide
MOLECULAR FORMULA: C24H29N3O3S
MOLECULAR WEIGHT: 439.57036
SMILES: CCCCCCNC(=O)CC1=CC=C(C=C1)OC2=NC(=NS2)CC3=CC(=CC=C3)OC
Structure:
CAS RN: 6245-36-9
CAS Name: pentanoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester
OPENEYE Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] pentanoate
IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] pentanoate
SYSTEMATIC NAME: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] pentanoate
MOLECULAR FORMULA: C21H21N3O6S
MOLECULAR WEIGHT: 443.47294
SMILES: CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 4064-75-9
CAS Name: 4-[(2-hydroxy-3-prop-2-ynoxypropyl)-(2-pyrimidinyl)amino]butanoic acid methyl ester
OPENEYE Name: methyl 4-[(2-hydroxy-3-prop-2-ynoxy-propyl)-pyrimidin-2-yl-amino]butanoate
IUPAC Name: methyl 4-[(2-hydroxy-3-prop-2-ynoxypropyl)-pyrimidin-2-ylamino]butanoate
SYSTEMATIC NAME: methyl 4-[(2-oxidanyl-3-prop-2-ynoxy-propyl)-pyrimidin-2-yl-amino]butanoate
MOLECULAR FORMULA: C15H21N3O4
MOLECULAR WEIGHT: 307.34494
SMILES: COC(=O)CCCN(CC(COCC#C)O)C1=NC=CC=N1
Structure:
CAS RN: 4064-14-6
CAS Name: 1-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-3-prop-2-ynoxy-2-propanol
OPENEYE Name: 1-[4-(2-methyl-4-quinolyl)piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol
IUPAC Name: 1-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol
MOLECULAR FORMULA: C20H25N3O2
MOLECULAR WEIGHT: 339.4314
SMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC(COCC#C)O
Structure:
CAS RN: 6911-55-3
CAS Name: N-[5-ethyl-3-[(4-ethyl-1-piperazinyl)-(2-fluorophenyl)methyl]-2-thiophenyl]benzamide
OPENEYE Name: N-[5-ethyl-3-[(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-2-thienyl]benzamide
IUPAC Name: N-[5-ethyl-3-[(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]thiophen-2-yl]benzamide
SYSTEMATIC NAME: N-[5-ethyl-3-[(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]thiophen-2-yl]benzamide
MOLECULAR FORMULA: C26H30FN3OS
MOLECULAR WEIGHT: 451.599303
SMILES: CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3F)N4CCN(CC4)CC
Structure:
CAS RN: 6814-92-2
CAS Name: N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
OPENEYE Name: N'-[(4-benzyloxyphenyl)methyleneamino]-N-(2-bromophenyl)butanediamide
IUPAC Name: N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
SYSTEMATIC NAME: N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
MOLECULAR FORMULA: C24H22BrN3O3
MOLECULAR WEIGHT: 480.35378
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)CCC(=O)NC3=CC=CC=C3Br
Structure:
CAS RN: 6221-40-5
CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(4-isopropoxybenzoyl)amino]-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
IUPAC Name: ethyl 6-propan-2-yl-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-propan-2-yl-2-[(4-propan-2-yloxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
MOLECULAR FORMULA: C23H30N2O4S
MOLECULAR WEIGHT: 430.5603
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)C3=CC=C(C=C3)OC(C)C
Structure:
CAS RN: 5572-19-0
CAS Name: N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]acetamide
OPENEYE Name: N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
IUPAC Name: N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24Cl2N4O5S2
MOLECULAR WEIGHT: 535.46436
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl
Structure:
CAS RN: 6435-87-6
CAS Name: 2,2,3,3-tetraethoxy-4-(4-methoxyphenyl)cyclobutane-1,1-dicarbonitrile
OPENEYE Name: 2,2,3,3-tetraethoxy-4-(4-methoxyphenyl)cyclobutane-1,1-dicarbonitrile
IUPAC Name: 2,2,3,3-tetraethoxy-4-(4-methoxyphenyl)cyclobutane-1,1-dicarbonitrile
SYSTEMATIC NAME: 2,2,3,3-tetraethoxy-4-(4-methoxyphenyl)cyclobutane-1,1-dicarbonitrile
MOLECULAR FORMULA: C21H28N2O5
MOLECULAR WEIGHT: 388.45742
SMILES: CCOC1(C(C(C1(OCC)OCC)(C#N)C#N)C2=CC=C(C=C2)OC)OCC
Structure:
CAS RN: 6119-06-8
CAS Name: 5-[(4-methylphenyl)-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylimino]methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[N-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethyl]-C-(p-tolyl)carbonimidoyl]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[C-(4-methylphenyl)-N-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]carbonimidoyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[C-(4-methylphenyl)-N-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]carbonimidoyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C42H36N4O4
MOLECULAR WEIGHT: 660.75964
SMILES: CC1=CC=C(C=C1)C(=NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C)C5C(=O)N(C(=O)N(C5=O)C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 5280-39-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H21N5O2S
MOLECULAR WEIGHT: 503.57434
SMILES: CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)C5=CC=CC=C5C=C4)C6=CC=CC=C6)C7=CC=CS7
Structure:
CAS RN: 5865-02-1
CAS Name: N-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-1-propanamine
OPENEYE Name: N-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]propan-1-amine
IUPAC Name: N-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: CCCNCC1=CC=CN1C2=CC=CC(=N2)C
Structure:
CAS RN: 4934-22-9
CAS Name: azanide; platinum(4+); thiazole
OPENEYE Name: azanide; platinum(4+); thiazole
IUPAC Name: azanide; platinum(4+); 1,3-thiazole
SYSTEMATIC NAME: azanide; platinum(4+); 1,3-thiazole
MOLECULAR FORMULA: C3H7N3PtS+2
MOLECULAR WEIGHT: 312.25078
SMILES: C1=CSC=N1.[NH2-].[NH2-].[Pt+4]
Structure:
CAS RN: 4961-81-3
CAS Name: 8-amino-3,7-dihydropurin-6-one
OPENEYE Name: 8-amino-3,7-dihydropurin-6-one
IUPAC Name: 8-amino-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-azanyl-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C5H5N5O
MOLECULAR WEIGHT: 151.1261
SMILES: C1=NC(=O)C2=C(N1)N=C(N2)N
Structure:
CAS RN: 4702-51-6
CAS Name: N-(4-hex-1-ynylphenyl)methanesulfonamide
OPENEYE Name: N-(4-hex-1-ynylphenyl)methanesulfonamide
IUPAC Name: N-(4-hex-1-ynylphenyl)methanesulfonamide
SYSTEMATIC NAME: N-(4-hex-1-ynylphenyl)methanesulfonamide
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: CCCCC#CC1=CC=C(C=C1)NS(=O)(=O)C
Structure:
CAS RN: 62871-66-3
CAS Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dithione
OPENEYE Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dithione
IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dithione
SYSTEMATIC NAME: 2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dithione
MOLECULAR FORMULA: C4H3N5S2
MOLECULAR WEIGHT: 185.23012
SMILES: C12=NNNC1=NC(=S)NC2=S
Structure:
CAS RN: 6103-70-4
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[(3-methyl-1-oxobut-2-enyl)-[(4-methylphenyl)methyl]amino]-1-cyclohexenecarboxamide
OPENEYE Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[3-methylbut-2-enoyl(p-tolylmethyl)amino]cyclohexene-1-carboxamide
IUPAC Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[3-methylbut-2-enoyl-[(4-methylphenyl)methyl]amino]cyclohexene-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-(2-iodanylphenoxy)-5-[3-methylbut-2-enoyl-[(4-methylphenyl)methyl]amino]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C28H33IN2O5
MOLECULAR WEIGHT: 604.47649
SMILES: CC1=CC=C(C=C1)CN(C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)C=C(C)C
Structure:
CAS RN: 6913-68-4
CAS Name: 1-[1-(1-oxopropyl)cyclopropyl]-1-propanone
OPENEYE Name: 1-(1-propanoylcyclopropyl)propan-1-one
IUPAC Name: 1-(1-propanoylcyclopropyl)propan-1-one
SYSTEMATIC NAME: 1-(1-propanoylcyclopropyl)propan-1-one
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CCC(=O)C1(CC1)C(=O)CC
Structure:
CAS RN: 7228-34-4
CAS Name: [2,6-di(propan-2-yl)phenyl]azanide; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidylpentan-2-yl]azanide; ethanol; scandium(3+)
OPENEYE Name: (2,6-diisopropylphenyl)azanide; (2,6-diisopropylphenyl)-[3-(2,6-diisopropylphenyl)azanidyl-1-methyl-butyl]azanide; ethanol; scandium(3+)
IUPAC Name: [2,6-di(propan-2-yl)phenyl]azanide; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidylpentan-2-yl]azanide; ethanol; scandium(3+)
SYSTEMATIC NAME: [2,6-di(propan-2-yl)phenyl]azanide; [2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidylpentan-2-yl]azanide; ethanol; scandium(3+)
MOLECULAR FORMULA: C43H68N3OSc
MOLECULAR WEIGHT: 687.97543
SMILES: CCO.CC(C)C1=C(C(=CC=C1)C(C)C)[NH-].CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(C)CC(C)[N-]C2=C(C=CC=C2C(C)C)C(C)C.[Sc+3]
Structure:
CAS RN: 7228-33-3
CAS Name: 2'-amino-1'-spiro[2,3-dihydro-1H-naphthalene-4,5'-cyclopenta-1,3-diene]carbonitrile
OPENEYE Name: 2-aminospiro[cyclopenta-1,3-diene-5,1'-tetralin]-1-carbonitrile
IUPAC Name: 2'-aminospiro[2,3-dihydro-1H-naphthalene-4,5'-cyclopenta-1,3-diene]-1'-carbonitrile
SYSTEMATIC NAME: 2'-azanylspiro[2,3-dihydro-1H-naphthalene-4,5'-cyclopenta-1,3-diene]-1'-carbonitrile
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: C1CC2=CC=CC=C2C3(C1)C=CC(=C3C#N)N
Structure:
CAS RN: 7168-29-8
CAS Name: 2-[[5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(2,4-difluorophenyl)ethanone
OPENEYE Name: 2-[[5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-difluorophenyl)ethanone
IUPAC Name: 2-[[5-[4-(difluoromethoxy)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-difluorophenyl)ethanone
SYSTEMATIC NAME: 2-[[5-[4-[bis(fluoranyl)methoxy]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[2,4-bis(fluoranyl)phenyl]ethanone
MOLECULAR FORMULA: C19H15F4N3O2S
MOLECULAR WEIGHT: 425.399913
SMILES: CCN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)F)F)C3=CC=C(C=C3)OC(F)F
Structure:
CAS RN: 7168-26-5
CAS Name: 4-(2-ethoxyphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-(2-ethoxyphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-(2-ethoxyphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(2-ethoxyphenyl)-3-[3-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C18H15F4N3O2S
MOLECULAR WEIGHT: 413.389213
SMILES: CCOC1=CC=CC=C1N2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F
Structure:
CAS RN: 7168-25-4
CAS Name: 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]-2-furancarboxylic acid methyl ester
OPENEYE Name: methyl 5-[[2-ethoxy-4-[(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
IUPAC Name: methyl 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H18N4O5S
MOLECULAR WEIGHT: 402.42432
SMILES: CCOC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=CC=C(O3)C(=O)OC
Structure:
CAS RN: 7168-23-2
CAS Name: 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(2,4-dimethoxyphenyl)-3-[3-[(4-nitrophenoxy)methyl]phenyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C23H20N4O5S
MOLECULAR WEIGHT: 464.4937
SMILES: COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-])OC
Structure:
CAS RN: 7168-22-1
CAS Name: 6-bromo-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC Name: 6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: 6-bromanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C13H13BrN6O
MOLECULAR WEIGHT: 349.18592
SMILES: CC1=NN(C=C1CNC(=O)C2=NN3C=C(C=NC3=C2)Br)C
Structure:
CAS RN: 7168-21-0
CAS Name: 6-(difluoromethyl)-4-methyl-3-[[(4-nitrophenyl)-oxomethyl]amino]-2-thieno[2,3-b]pyridinecarboxamide
OPENEYE Name: 6-(difluoromethyl)-4-methyl-3-[(4-nitrobenzoyl)amino]thieno[2,3-b]pyridine-2-carboxamide
IUPAC Name: 6-(difluoromethyl)-4-methyl-3-[(4-nitrobenzoyl)amino]thieno[2,3-b]pyridine-2-carboxamide
SYSTEMATIC NAME: 6-[bis(fluoranyl)methyl]-4-methyl-3-[(4-nitrophenyl)carbonylamino]thieno[2,3-b]pyridine-2-carboxamide
MOLECULAR FORMULA: C17H12F2N4O4S
MOLECULAR WEIGHT: 406.363386
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)N)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)F
Structure:
CAS RN: 7168-12-9
CAS Name: 2-[[5-(1,5-dimethyl-3-pyrazolyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide
OPENEYE Name: N-allyl-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C17H20N6O2S
MOLECULAR WEIGHT: 372.4447
SMILES: CC1=CC(=NN1C)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC=C
Structure:
CAS RN: 7168-11-8
CAS Name: N-[1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline
OPENEYE Name: N-[1-(2,6-difluorophenyl)-2-(p-tolylsulfinyl)ethyl]-4-methoxy-aniline
IUPAC Name: N-[1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline
SYSTEMATIC NAME: N-[1-[2,6-bis(fluoranyl)phenyl]-2-(4-methylphenyl)sulfinyl-ethyl]-4-methoxy-aniline
MOLECULAR FORMULA: C22H21F2NO2S
MOLECULAR WEIGHT: 401.469446
SMILES: CC1=CC=C(C=C1)S(=O)CC(C2=C(C=CC=C2F)F)NC3=CC=C(C=C3)OC
Structure:
CAS RN: 7168-09-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H38Br2O7
MOLECULAR WEIGHT: 730.48002
SMILES: CC1CC2C(C2(C)C)C3CC(C(C4C1(C3=O)CC(C4)C5OCCO5)OC(=O)C6=CC=C(C=C6)Br)OC(=O)C7=CC=C(C=C7)Br
Structure:
CAS RN: 7168-10-7
CAS Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide
OPENEYE Name: N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
IUPAC Name: N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SYSTEMATIC NAME: N-[3-[bis(fluoranyl)methyl]-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
MOLECULAR FORMULA: C13H15F5N6OS
MOLECULAR WEIGHT: 398.354816
SMILES: CCSC1=NN=C(N1NC(=O)CCN2C(=CC(=N2)C(F)(F)F)C)C(F)F
Structure:
CAS RN: 7168-08-3
CAS Name: N-(2-carbamoylphenyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide
OPENEYE Name: N-(2-carbamoylphenyl)-3-chloro-4-(difluoromethoxy)benzothiophene-2-carboxamide
IUPAC Name: N-(2-carbamoylphenyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-(2-aminocarbonylphenyl)-4-[bis(fluoranyl)methoxy]-3-chloranyl-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C17H11ClF2N2O3S
MOLECULAR WEIGHT: 396.795646
SMILES: C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=C(C3=C(C=CC=C3S2)OC(F)F)Cl
Structure:
CAS RN: 7168-03-8
CAS Name: 1-butan-2-yl-3-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]thiourea
OPENEYE Name: 1-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-sec-butyl-thiourea
IUPAC Name: 1-butan-2-yl-3-[3-(4-chloropyrazol-1-yl)propanoylamino]thiourea
SYSTEMATIC NAME: 1-butan-2-yl-3-[3-(4-chloranylpyrazol-1-yl)propanoylamino]thiourea
MOLECULAR FORMULA: C11H18ClN5OS
MOLECULAR WEIGHT: 303.81152
SMILES: CCC(C)NC(=S)NNC(=O)CCN1C=C(C=N1)Cl
Structure:
CAS RN: 6477-75-4
CAS Name: 5-bromo-3'-(4-chlorophenyl)spiro[1H-indole-3,2'-thiazolidine]-2,4'-dione
OPENEYE Name: 5-bromo-3'-(4-chlorophenyl)spiro[indoline-3,2'-thiazolidine]-2,4'-dione
IUPAC Name: 5'-bromo-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SYSTEMATIC NAME: 5'-bromanyl-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
MOLECULAR FORMULA: C16H10BrClN2O2S
MOLECULAR WEIGHT: 409.6848
SMILES: C1C(=O)N(C2(S1)C3=C(C=CC(=C3)Br)NC2=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 6477-14-1
CAS Name: 2-[2-[oxo-(4-propan-2-ylanilino)methyl]phenyl]acetic acid
OPENEYE Name: 2-[2-[(4-isopropylphenyl)carbamoyl]phenyl]acetic acid
IUPAC Name: 2-[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC(=O)O
Structure:
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