CAS RN: 5131-29-3
CAS Name: 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
IUPAC Name: methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[2-[[5-[[(3-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate
MOLECULAR FORMULA: C25H22ClN5O3S
MOLECULAR WEIGHT: 507.99188
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl
Structure:
CAS RN: 172985-18-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CCC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)N)(C)C
Structure:
CAS RN: 887408-72-2
CAS Name: 1-ethyl-5-methyl-4-pyrazolecarboxylic acid
OPENEYE Name: 1-ethyl-5-methyl-pyrazole-4-carboxylic acid
IUPAC Name: 1-ethyl-5-methylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-5-methyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CCN1C(=C(C=N1)C(=O)O)C
Structure:
CAS RN: 113131-46-7
CAS Name: 1-ethyl-3-methyl-4-pyrazolecarboxylic acid
OPENEYE Name: 1-ethyl-3-methyl-pyrazole-4-carboxylic acid
IUPAC Name: 1-ethyl-3-methylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-3-methyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CCN1C=C(C(=N1)C)C(=O)O
Structure:
CAS RN: 5849-77-4
CAS Name: 6-bromo-N-(2,4-dimethylphenyl)-2-oxo-1-benzopyran-3-carboxamide
OPENEYE Name: 6-bromo-N-(2,4-dimethylphenyl)-2-oxo-chromene-3-carboxamide
IUPAC Name: 6-bromo-N-(2,4-dimethylphenyl)-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: 6-bromanyl-N-(2,4-dimethylphenyl)-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C18H14BrNO3
MOLECULAR WEIGHT: 372.21266
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C
Structure:
CAS RN: 5857-75-0
CAS Name: 1-(5-bromo-2-methylphenyl)sulfonylbenzimidazole
OPENEYE Name: 1-(5-bromo-2-methyl-phenyl)sulfonylbenzimidazole
IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonylbenzimidazole
SYSTEMATIC NAME: 1-(5-bromanyl-2-methyl-phenyl)sulfonylbenzimidazole
MOLECULAR FORMULA: C14H11BrN2O2S
MOLECULAR WEIGHT: 351.21834
SMILES: CC1=C(C=C(C=C1)Br)S(=O)(=O)N2C=NC3=CC=CC=C32
Structure:
CAS RN: 100939-90-0
CAS Name: (3-chlorophenyl)-(1-piperazinyl)methanone
OPENEYE Name: (3-chlorophenyl)-piperazin-1-yl-methanone
IUPAC Name: (3-chlorophenyl)-piperazin-1-ylmethanone
SYSTEMATIC NAME: (3-chlorophenyl)-piperazin-1-yl-methanone
MOLECULAR FORMULA: C11H13ClN2O
MOLECULAR WEIGHT: 224.68672
SMILES: C1CN(CCN1)C(=O)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 143999-83-1
CAS Name: 2-(4-chlorophenoxy)-1-(1-piperazinyl)ethanone
OPENEYE Name: 2-(4-chlorophenoxy)-1-piperazin-1-yl-ethanone
IUPAC Name: 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-1-piperazin-1-yl-ethanone
MOLECULAR FORMULA: C12H15ClN2O2
MOLECULAR WEIGHT: 254.7127
SMILES: C1CN(CCN1)C(=O)COC2=CC=C(C=C2)Cl
Structure:
CAS RN: 5650-19-1
CAS Name: 2-[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[(3-methoxynaphthalen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C21H20N2O3S
MOLECULAR WEIGHT: 380.4601
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
Structure:
CAS RN: 5989-82-2
CAS Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]thio]-N-(2-methoxyphenyl)acetamide
OPENEYE Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
IUPAC Name: 2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H21N3O5S
MOLECULAR WEIGHT: 427.47354
SMILES: COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3OC)O
Structure:
CAS RN: 6158-62-9
CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
OPENEYE Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C18H18N4O2S2
MOLECULAR WEIGHT: 386.49112
SMILES: CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CSC3=NC4=CC=CC=C4N3)C
Structure:
CAS RN: 797812-91-0
CAS Name: 2-(2-propan-2-yl-1-benzimidazolyl)acetic acid
OPENEYE Name: 2-(2-isopropylbenzimidazol-1-yl)acetic acid
IUPAC Name: 2-(2-propan-2-ylbenzimidazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(2-propan-2-ylbenzimidazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC(C)C1=NC2=CC=CC=C2N1CC(=O)O
Structure:
CAS RN: 5387-59-7
CAS Name: N-(3,5-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]acetamide
OPENEYE Name: N-(3,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(3,5-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H19N5O4S
MOLECULAR WEIGHT: 401.43956
SMILES: COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=CC(=C3)OC)OC
Structure:
CAS RN: 27143-76-6
CAS Name: 1-(4-chlorophenyl)-2H-tetrazole-5-thione
OPENEYE Name: 1-(4-chlorophenyl)-2H-tetrazole-5-thione
IUPAC Name: 1-(4-chlorophenyl)-2H-tetrazole-5-thione
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C7H5ClN4S
MOLECULAR WEIGHT: 212.6594
SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)Cl
Structure:
CAS RN: 70010-48-9
CAS Name: 4-thiophen-2-ylaniline
OPENEYE Name: 4-(2-thienyl)aniline
IUPAC Name: 4-thiophen-2-ylaniline
SYSTEMATIC NAME: 4-thiophen-2-ylaniline
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: C1=CSC(=C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 4986-62-3
CAS Name: 5-(1-ethyl-6-methyl-2-quinolinylidene)-1-methyl-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(1-ethyl-6-methyl-2-quinolylidene)-1-methyl-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(1-ethyl-6-methylquinolin-2-ylidene)-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(1-ethyl-6-methyl-quinolin-2-ylidene)-1-methyl-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C22H21N3OS
MOLECULAR WEIGHT: 375.48664
SMILES: CCN1C2=C(C=CC1=C3C(=O)N(C(=S)N3C)C4=CC=CC=C4)C=C(C=C2)C
Structure:
CAS RN: 5365-63-9
CAS Name: 1-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(p-tolylsulfonyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H13F3N2O3S
MOLECULAR WEIGHT: 358.33553
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 5210-59-3
CAS Name: 4-bromobenzoic acid [4-(4-cyanophenoxy)phenyl] ester
OPENEYE Name: [4-(4-cyanophenoxy)phenyl] 4-bromobenzoate
IUPAC Name: [4-(4-cyanophenoxy)phenyl] 4-bromobenzoate
SYSTEMATIC NAME: [4-(4-cyanophenoxy)phenyl] 4-bromanylbenzoate
MOLECULAR FORMULA: C20H12BrNO3
MOLECULAR WEIGHT: 394.21818
SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 5252-79-9
CAS Name: 2,2,2-trifluoro-N-[4-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenoxy]phenyl]acetamide
OPENEYE Name: 2,2,2-trifluoro-N-[4-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]acetamide
IUPAC Name: 2,2,2-trifluoro-N-[4-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]phenyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[4-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenoxy]phenyl]ethanamide
MOLECULAR FORMULA: C16H10F6N2O3
MOLECULAR WEIGHT: 392.252619
SMILES: C1=CC(=CC=C1NC(=O)C(F)(F)F)OC2=CC=C(C=C2)NC(=O)C(F)(F)F
Structure:
CAS RN: 5646-93-5
CAS Name: 3-(4-methoxyphenyl)-2-sulfanylidene-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
OPENEYE Name: 3-(4-methoxyphenyl)-2-thioxo-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
IUPAC Name: 3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-2-sulfanylidene-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
MOLECULAR FORMULA: C24H24N2O2S
MOLECULAR WEIGHT: 404.52456
SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)NC2=S
Structure:
CAS RN: 4174-09-8
CAS Name: (4Z)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenyl-3-pyrazolone
OPENEYE Name: (4Z)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]-2-phenyl-pyrazol-3-one
IUPAC Name: (4Z)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4Z)-5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C21H18N4O2
MOLECULAR WEIGHT: 358.39322
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C
Structure:
CAS RN: 5856-92-8
CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]methanone
OPENEYE Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]methanone
IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]methanone
SYSTEMATIC NAME: [4-(3-chlorophenyl)piperazin-1-yl]-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]methanone
MOLECULAR FORMULA: C25H27ClN2O2
MOLECULAR WEIGHT: 422.94708
SMILES: C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)O
Structure:
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