CAS RN: 3141-93-3
CAS Name: 1-(3,4-dimethoxyphenyl)-2-phenylethanone
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-2-phenyl-ethanone
IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-phenylethanone
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-2-phenyl-ethanone
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: COC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2)OC
Structure:
CAS RN: 122-65-6
CAS Name: N,N'-bis(phenylmethyl)ethanedithioamide
OPENEYE Name: N,N'-dibenzylethanedithioamide
IUPAC Name: N,N'-dibenzylethanedithioamide
SYSTEMATIC NAME: N,N'-bis(phenylmethyl)ethanedithioamide
MOLECULAR FORMULA: C16H16N2S2
MOLECULAR WEIGHT: 300.44164
SMILES: C1=CC=C(C=C1)CNC(=S)C(=S)NCC2=CC=CC=C2
Structure:
CAS RN: 36932-40-8
CAS Name: 2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenylacetamide
OPENEYE Name: 2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenyl-acetamide
IUPAC Name: 2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[(2R)-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3N2
Structure:
CAS RN: 36932-40-8
CAS Name: 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenylacetamide
OPENEYE Name: 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenyl-acetamide
IUPAC Name: 2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[(2S)-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3N2
Structure:
CAS RN: 5666-42-2
CAS Name: [4-(dimethylamino)phenyl]-[4-(4-fluorophenyl)-1-piperazinyl]methanone
OPENEYE Name: [4-(dimethylamino)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
IUPAC Name: [4-(dimethylamino)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C19H22FN3O
MOLECULAR WEIGHT: 327.395883
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F
Structure:
CAS RN: 84455-47-0
CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(p-tolyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: CC1=CC=C(C=C1)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N
Structure:
CAS RN: 31772-43-7
CAS Name: 2-chloro-1-(2,5-dimethyl-3-thiophenyl)ethanone
OPENEYE Name: 2-chloro-1-(2,5-dimethyl-3-thienyl)ethanone
IUPAC Name: 2-chloro-1-(2,5-dimethylthiophen-3-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(2,5-dimethylthiophen-3-yl)ethanone
MOLECULAR FORMULA: C8H9ClOS
MOLECULAR WEIGHT: 188.67446
SMILES: CC1=CC(=C(S1)C)C(=O)CCl
Structure:
CAS RN: 5119-17-5
CAS Name: 5-ethyl-2-(ethylthio)-3-thiophenecarboxylic acid
OPENEYE Name: 5-ethyl-2-ethylsulfanyl-thiophene-3-carboxylic acid
IUPAC Name: 5-ethyl-2-ethylsulfanylthiophene-3-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-2-ethylsulfanyl-thiophene-3-carboxylic acid
MOLECULAR FORMULA: C9H12O2S2
MOLECULAR WEIGHT: 216.32038
SMILES: CCC1=CC(=C(S1)SCC)C(=O)O
Structure:
CAS RN: 5611-02-9
CAS Name: 3,4-dimethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
OPENEYE Name: 3,4-dimethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
IUPAC Name: 3,4-dimethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SYSTEMATIC NAME: 3,4-dimethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
MOLECULAR FORMULA: C16H14F3NO3
MOLECULAR WEIGHT: 325.28247
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)OC
Structure:
CAS RN: 4767-61-7
CAS Name: (3Z)-3-[(4-methoxyphenyl)methylidene]-1-isobenzofuranone
OPENEYE Name: (3Z)-3-[(4-methoxyphenyl)methylene]isobenzofuran-1-one
IUPAC Name: (3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 5248-70-4
CAS Name: (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(1-pyrazolyl)methanone
OPENEYE Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-pyrazol-1-yl-methanone
IUPAC Name: (3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)-pyrazol-1-ylmethanone
SYSTEMATIC NAME: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-pyrazol-1-yl-methanone
MOLECULAR FORMULA: C16H12N4OS
MOLECULAR WEIGHT: 308.35768
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)N3C=CC=N3)C4=CC=CC=C4
Structure:
CAS RN: 5757-37-9
CAS Name: 3,7-dimethyl-8-(1-piperidinyl)-1-prop-2-enylpurine-2,6-dione
OPENEYE Name: 1-allyl-3,7-dimethyl-8-(1-piperidyl)purine-2,6-dione
IUPAC Name: 3,7-dimethyl-8-piperidin-1-yl-1-prop-2-enylpurine-2,6-dione
SYSTEMATIC NAME: 3,7-dimethyl-8-piperidin-1-yl-1-prop-2-enyl-purine-2,6-dione
MOLECULAR FORMULA: C15H21N5O2
MOLECULAR WEIGHT: 303.35954
SMILES: CN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC=C)C
Structure:
CAS RN: 60045-59-2
CAS Name: 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O
Structure:
CAS RN: 31638-96-7
CAS Name: 3,4,5-trimethoxy-N-(3-pyridinyl)benzamide
OPENEYE Name: 3,4,5-trimethoxy-N-(3-pyridyl)benzamide
IUPAC Name: 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
SYSTEMATIC NAME: 3,4,5-trimethoxy-N-pyridin-3-yl-benzamide
MOLECULAR FORMULA: C15H16N2O4
MOLECULAR WEIGHT: 288.29854
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN=CC=C2
Structure:
CAS RN: 77261-21-3
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-chloroacetyl)amino]-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-chloranylethanoylamino)-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H14ClNO3S
MOLECULAR WEIGHT: 323.79456
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCl
Structure:
CAS RN: 1031-88-5
CAS Name: 3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
OPENEYE Name: 3-(4-methoxyphenyl)-2-thioxo-1H-quinazolin-4-one
IUPAC Name: 3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S
Structure:
CAS RN: 5811-37-0
CAS Name: (1-methyl-2-benzimidazolyl)-phenylmethanone
OPENEYE Name: (1-methylbenzimidazol-2-yl)-phenyl-methanone
IUPAC Name: (1-methylbenzimidazol-2-yl)-phenylmethanone
SYSTEMATIC NAME: (1-methylbenzimidazol-2-yl)-phenyl-methanone
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC=C3
Structure:
CAS RN: 5254-98-8
CAS Name: N,N'-bis(3-fluorophenyl)propanediamide
OPENEYE Name: N,N'-bis(3-fluorophenyl)propanediamide
IUPAC Name: N,N'-bis(3-fluorophenyl)propanediamide
SYSTEMATIC NAME: N,N'-bis(3-fluorophenyl)propanediamide
MOLECULAR FORMULA: C15H12F2N2O2
MOLECULAR WEIGHT: 290.264786
SMILES: C1=CC(=CC(=C1)F)NC(=O)CC(=O)NC2=CC(=CC=C2)F
Structure:
CAS RN: 4029-41-8
CAS Name: N-(3-chloro-2-quinoxalinyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(3-chloroquinoxalin-2-yl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(3-chloranylquinoxalin-2-yl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C15H12ClN3O2S
MOLECULAR WEIGHT: 333.79268
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2Cl
Structure:
CAS RN: 101018-99-9
CAS Name: (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
OPENEYE Name: (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
IUPAC Name: (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SYSTEMATIC NAME: (4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
MOLECULAR FORMULA: C15H11BrO3
MOLECULAR WEIGHT: 319.15004
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 5236-76-0
CAS Name: 2-hydroxy-3-(2-nitrophenyl)-1H-quinolin-4-one
OPENEYE Name: 2-hydroxy-3-(2-nitrophenyl)-1H-quinolin-4-one
IUPAC Name: 2-hydroxy-3-(2-nitrophenyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 3-(2-nitrophenyl)-2-oxidanyl-1H-quinolin-4-one
MOLECULAR FORMULA: C15H10N2O4
MOLECULAR WEIGHT: 282.2509
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(N2)O)C3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 4949-93-3
CAS Name: 1-methyl-1,3-diphenylthiourea
OPENEYE Name: 1-methyl-1,3-diphenyl-thiourea
IUPAC Name: 1-methyl-1,3-diphenylthiourea
SYSTEMATIC NAME: 1-methyl-1,3-diphenyl-thiourea
MOLECULAR FORMULA: C14H14N2S
MOLECULAR WEIGHT: 242.33936
SMILES: CN(C1=CC=CC=C1)C(=S)NC2=CC=CC=C2
Structure:
CAS RN: 5251-47-8
CAS Name: N-(4-methoxyphenyl)-2-(2-pyridinylthio)acetamide
OPENEYE Name: N-(4-methoxyphenyl)-2-(2-pyridylsulfanyl)acetamide
IUPAC Name: N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanyl-ethanamide
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=N2
Structure:
CAS RN: 5321-79-9
CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 2-(thiophene-2-carbonylamino)benzoate
IUPAC Name: ethyl 2-(thiophene-2-carbonylamino)benzoate
SYSTEMATIC NAME: ethyl 2-(thiophen-2-ylcarbonylamino)benzoate
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2
Structure:
CAS RN: 10520-99-7
CAS Name: N-(4-methylphenyl)sulfonylbenzenecarbothioamide
OPENEYE Name: N-(p-tolylsulfonyl)benzenecarbothioamide
IUPAC Name: N-(4-methylphenyl)sulfonylbenzenecarbothioamide
SYSTEMATIC NAME: N-(4-methylphenyl)sulfonylbenzenecarbothioamide
MOLECULAR FORMULA: C14H13NO2S2
MOLECULAR WEIGHT: 291.38852
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 73014-19-4
CAS Name: 1-(2,4-dihydroxyphenyl)-2-phenoxyethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-phenoxy-ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-phenoxyethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-phenoxy-ethanone
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 6596-82-3
CAS Name: 3,4-diphenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3,4-diphenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3,4-diphenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3,4-diphenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H11N3S
MOLECULAR WEIGHT: 253.32224
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3
Structure:
CAS RN: 121361-56-6
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(4-fluoranylphenoxy)ethanone
MOLECULAR FORMULA: C14H11FO4
MOLECULAR WEIGHT: 262.233143
SMILES: C1=CC(=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O)F
Structure:
CAS RN: 5272-13-9
CAS Name: 2-(1-benzotriazolyl)-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-(benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-(benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-(benzotriazol-1-yl)-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C14H10N4O3
MOLECULAR WEIGHT: 282.2542
SMILES: C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 127119-38-4
CAS Name: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-1-propanone
OPENEYE Name: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one
IUPAC Name: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one
SYSTEMATIC NAME: 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)propan-1-one
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CCC(=O)C1=CC2=C(C=C1)OCCCCO2
Structure:
CAS RN: 42122-73-6
CAS Name: 5-aminobenzene-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 5-aminobenzene-1,3-dicarboxylate
IUPAC Name: diethyl 5-aminobenzene-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 5-azanylbenzene-1,3-dicarboxylate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CCOC(=O)C1=CC(=CC(=C1)N)C(=O)OCC
Structure:
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