CAS RN: 522597-61-1
CAS Name: 3-(2-methyl-3-furanyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(2-methyl-3-furyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(2-methylfuran-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(2-methylfuran-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3OS
MOLECULAR WEIGHT: 221.27884
SMILES: CC1=C(C=CO1)C2=NNC(=S)N2CC=C
Structure:
CAS RN: 522598-05-6
CAS Name: 2-(2-chlorophenyl)-6-methyl-4-quinolinecarboxylic acid
OPENEYE Name: 2-(2-chlorophenyl)-6-methyl-quinoline-4-carboxylic acid
IUPAC Name: 2-(2-chlorophenyl)-6-methylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(2-chlorophenyl)-6-methyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H12ClNO2
MOLECULAR WEIGHT: 297.73568
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3Cl
Structure:
CAS RN: 3775-01-7
CAS Name: (5E)-5-(phenylmethylene)imidazolidine-2,4-dione
OPENEYE Name: (5E)-5-benzylideneimidazolidine-2,4-dione
IUPAC Name: (5E)-5-benzylideneimidazolidine-2,4-dione
SYSTEMATIC NAME: (5E)-5-(phenylmethylidene)imidazolidine-2,4-dione
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N2
Structure:
CAS RN: 91908-37-1
CAS Name: 2-(3,4-diethoxyphenyl)acetohydrazide
OPENEYE Name: 2-(3,4-diethoxyphenyl)acetohydrazide
IUPAC Name: 2-(3,4-diethoxyphenyl)acetohydrazide
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)ethanehydrazide
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CCOC1=C(C=C(C=C1)CC(=O)NN)OCC
Structure:
CAS RN: 3139-29-5
CAS Name: 4-methoxy-N-(thiophen-2-ylmethyl)aniline
OPENEYE Name: 4-methoxy-N-(2-thienylmethyl)aniline
IUPAC Name: 4-methoxy-N-(thiophen-2-ylmethyl)aniline
SYSTEMATIC NAME: 4-methoxy-N-(thiophen-2-ylmethyl)aniline
MOLECULAR FORMULA: C12H13NOS
MOLECULAR WEIGHT: 219.30272
SMILES: COC1=CC=C(C=C1)NCC2=CC=CS2
Structure:
CAS RN: 6216-68-8
CAS Name: 2-(2-chloro-4,6-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
OPENEYE Name: 2-(2-chloro-4,6-dimethyl-phenoxy)-N-(3-nitrophenyl)acetamide
IUPAC Name: 2-(2-chloro-4,6-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-(2-chloranyl-4,6-dimethyl-phenoxy)-N-(3-nitrophenyl)ethanamide
MOLECULAR FORMULA: C16H15ClN2O4
MOLECULAR WEIGHT: 334.7543
SMILES: CC1=CC(=C(C(=C1)Cl)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C
Structure:
CAS RN: 6193-60-8
CAS Name: N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenoxy)acetamide
OPENEYE Name: N-(4-fluoro-3-nitro-phenyl)-2-(4-methylphenoxy)acetamide
IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenoxy)acetamide
SYSTEMATIC NAME: N-(4-fluoranyl-3-nitro-phenyl)-2-(4-methylphenoxy)ethanamide
MOLECULAR FORMULA: C15H13FN2O4
MOLECULAR WEIGHT: 304.273123
SMILES: CC1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]
Structure:
CAS RN: 436088-33-4
CAS Name: 2-amino-5-[(2S)-butan-2-yl]phenol
OPENEYE Name: 2-amino-5-[(1S)-1-methylpropyl]phenol
IUPAC Name: 2-amino-5-[(2S)-butan-2-yl]phenol
SYSTEMATIC NAME: 2-azanyl-5-[(2S)-butan-2-yl]phenol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC[C@H](C)C1=CC(=C(C=C1)N)O
Structure:
CAS RN: 436088-33-4
CAS Name: 2-amino-5-[(2R)-butan-2-yl]phenol
OPENEYE Name: 2-amino-5-[(1R)-1-methylpropyl]phenol
IUPAC Name: 2-amino-5-[(2R)-butan-2-yl]phenol
SYSTEMATIC NAME: 2-azanyl-5-[(2R)-butan-2-yl]phenol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC[C@@H](C)C1=CC(=C(C=C1)N)O
Structure:
CAS RN: 6297-18-3
CAS Name: (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-morpholinyl)-4-thiazolone
OPENEYE Name: (5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-morpholino-thiazol-4-one
IUPAC Name: (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
MOLECULAR FORMULA: C17H20N2O4S
MOLECULAR WEIGHT: 348.4167
SMILES: CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCOCC3)OC
Structure:
CAS RN: 438225-30-0
CAS Name: 8-methyl-2-(3-methylphenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 8-methyl-2-(m-tolyl)quinoline-4-carboxylic acid
IUPAC Name: 8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 8-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: CC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O
Structure:
CAS RN: 438223-45-1
CAS Name: 5-methyl-4-(4-propylphenyl)-2-thiazolamine
OPENEYE Name: 5-methyl-4-(4-propylphenyl)thiazol-2-amine
IUPAC Name: 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C13H16N2S
MOLECULAR WEIGHT: 232.34454
SMILES: CCCC1=CC=C(C=C1)C2=C(SC(=N2)N)C
Structure:
CAS RN: 438220-19-0
CAS Name: 4-(2,5-dimethylphenyl)-5-methyl-2-thiazolamine
OPENEYE Name: 4-(2,5-dimethylphenyl)-5-methyl-thiazol-2-amine
IUPAC Name: 4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C12H14N2S
MOLECULAR WEIGHT: 218.31796
SMILES: CC1=CC(=C(C=C1)C)C2=C(SC(=N2)N)C
Structure:
CAS RN: 6196-99-2
CAS Name: 5-chloro-2-methoxy-N-methyl-N-phenylbenzamide
OPENEYE Name: 5-chloro-2-methoxy-N-methyl-N-phenyl-benzamide
IUPAC Name: 5-chloro-2-methoxy-N-methyl-N-phenylbenzamide
SYSTEMATIC NAME: 5-chloranyl-2-methoxy-N-methyl-N-phenyl-benzamide
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: CN(C1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)Cl)OC
Structure:
CAS RN: 6188-15-4
CAS Name: N-(3,4-dimethylphenyl)-3,3-dimethylbutanamide
OPENEYE Name: N-(3,4-dimethylphenyl)-3,3-dimethyl-butanamide
IUPAC Name: N-(3,4-dimethylphenyl)-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CC1=C(C=C(C=C1)NC(=O)CC(C)(C)C)C
Structure:
CAS RN: 438216-88-7
CAS Name: 6-methyl-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 6-methyl-2-(5-methyl-2-thienyl)quinoline-4-carboxylic acid
IUPAC Name: 6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H13NO2S
MOLECULAR WEIGHT: 283.34492
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)C
Structure:
CAS RN: 438215-91-9
CAS Name: 4-(3,4-dimethylphenyl)-5-methyl-2-thiazolamine
OPENEYE Name: 4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-amine
IUPAC Name: 4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C12H14N2S
MOLECULAR WEIGHT: 218.31796
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)N)C)C
Structure:
CAS RN: 4837-19-8
CAS Name: 3-(difluoromethoxy)benzoic acid
OPENEYE Name: 3-(difluoromethoxy)benzoic acid
IUPAC Name: 3-(difluoromethoxy)benzoic acid
SYSTEMATIC NAME: 3-[bis(fluoranyl)methoxy]benzoic acid
MOLECULAR FORMULA: C8H6F2O3
MOLECULAR WEIGHT: 188.128246
SMILES: C1=CC(=CC(=C1)OC(F)F)C(=O)O
Structure:
CAS RN: 4382-10-9
CAS Name: 3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 3-[(2-methyl-3-nitro-benzoyl)amino]benzoate
IUPAC Name: ethyl 3-[(2-methyl-3-nitrobenzoyl)amino]benzoate
SYSTEMATIC NAME: ethyl 3-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
Structure:
CAS RN: 6170-97-4
CAS Name: N-(4-chlorophenyl)-2,2-dimethylbutanamide
OPENEYE Name: N-(4-chlorophenyl)-2,2-dimethyl-butanamide
IUPAC Name: N-(4-chlorophenyl)-2,2-dimethylbutanamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2,2-dimethyl-butanamide
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 6223-56-9
CAS Name: 5-amino-2-ethyl-6-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 5-amino-2-ethyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 5-amino-2-ethyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanyl-2-ethyl-6-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C14H12N4O2S
MOLECULAR WEIGHT: 300.33568
SMILES: CCC1=NN2C(=C(C(=O)N=C2S1)C=C3C=CC(=O)C=C3)N
Structure:
CAS RN: 6627-36-7
CAS Name: 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
OPENEYE Name: 3,6-dichloro-N-(4-methyl-2-pyridyl)benzothiophene-2-carboxamide
IUPAC Name: 3,6-dichloro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3,6-bis(chloranyl)-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C15H10Cl2N2OS
MOLECULAR WEIGHT: 337.2237
SMILES: CC1=CC(=NC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl
Structure:
CAS RN: 50772-54-8
CAS Name: 2-chloro-N-(4,5-dimethyl-2-thiazolyl)acetamide
OPENEYE Name: 2-chloro-N-(4,5-dimethylthiazol-2-yl)acetamide
IUPAC Name: 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C7H9ClN2OS
MOLECULAR WEIGHT: 204.67716
SMILES: CC1=C(SC(=N1)NC(=O)CCl)C
Structure:
CAS RN: 3174-15-0
CAS Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
OPENEYE Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
IUPAC Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl
Structure:
CAS RN: 1438-45-5
CAS Name: N-cyclohexyl-2-thiazolamine
OPENEYE Name: N-cyclohexylthiazol-2-amine
IUPAC Name: N-cyclohexyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-cyclohexyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H14N2S
MOLECULAR WEIGHT: 182.28586
SMILES: C1CCC(CC1)NC2=NC=CS2
Structure:
CAS RN: 27452-38-6
CAS Name: acetic acid (1-methyl-8-quinolin-1-iumyl) ester
OPENEYE Name: (1-methylquinolin-1-ium-8-yl) acetate
IUPAC Name: (1-methylquinolin-1-ium-8-yl) acetate
SYSTEMATIC NAME: (1-methylquinolin-1-ium-8-yl) ethanoate
MOLECULAR FORMULA: C12H12NO2+
MOLECULAR WEIGHT: 202.22918
SMILES: CC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C
Structure:
CAS RN: 56776-50-2
CAS Name: N-(2,3-dimethylphenyl)-2-methylbenzamide
OPENEYE Name: N-(2,3-dimethylphenyl)-2-methyl-benzamide
IUPAC Name: N-(2,3-dimethylphenyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2C)C
Structure:
CAS RN: 438213-44-6
CAS Name: 2-(3-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid
OPENEYE Name: 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylic acid
IUPAC Name: 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OC
Structure:
CAS RN: 438613-29-7
CAS Name: 6-bromo-3-chloro-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 6-bromo-3-chloro-benzothiophene-2-carboxylic acid
IUPAC Name: 6-bromo-3-chloro-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-3-chloranyl-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C9H4BrClO2S
MOLECULAR WEIGHT: 291.54886
SMILES: C1=CC2=C(C=C1Br)SC(=C2Cl)C(=O)O
Structure:
CAS RN: 6000-30-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12N4S2
MOLECULAR WEIGHT: 252.35908
SMILES: CN1CCC2=C(C1)SC3=NC(=S)NC(=C23)N
Structure:
CAS RN: 462068-57-1
CAS Name: 2-[4-(1-tetrazolyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(tetrazol-1-yl)phenyl]acetic acid
IUPAC Name: 2-[4-(tetrazol-1-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(1,2,3,4-tetrazol-1-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: C1=CC(=CC=C1CC(=O)O)N2C=NN=N2
Structure:
CAS RN: 438220-53-2
CAS Name: 2-amino-4-(3,4-dimethylphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(3,4-dimethylphenyl)-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C16H19NO2S
MOLECULAR WEIGHT: 289.39256
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)N
Structure:
CAS RN: 519016-86-5
CAS Name: 2-amino-4-(3,4-dimethylphenyl)-3-thiophenecarboxamide
OPENEYE Name: 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
IUPAC Name: 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
MOLECULAR FORMULA: C13H14N2OS
MOLECULAR WEIGHT: 246.32806
SMILES: CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)N)C
Structure:
CAS RN: 6197-22-4
CAS Name: 1-cyclopentyl-3-(4-ethoxyphenyl)thiourea
OPENEYE Name: 1-cyclopentyl-3-(4-ethoxyphenyl)thiourea
IUPAC Name: 1-cyclopentyl-3-(4-ethoxyphenyl)thiourea
SYSTEMATIC NAME: 1-cyclopentyl-3-(4-ethoxyphenyl)thiourea
MOLECULAR FORMULA: C14H20N2OS
MOLECULAR WEIGHT: 264.3864
SMILES: CCOC1=CC=C(C=C1)NC(=S)NC2CCCC2
Structure:
CAS RN: 117507-63-8
CAS Name: 2-amino-N-(2-furanylmethyl)benzamide
OPENEYE Name: 2-amino-N-(2-furylmethyl)benzamide
IUPAC Name: 2-amino-N-(furan-2-ylmethyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(furan-2-ylmethyl)benzamide
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)N
Structure:
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