CAS RN: 16820-12-5
CAS Name: (5S)-5-ethyl-5-methylimidazolidine-2,4-dione
OPENEYE Name: (5S)-5-ethyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: (5S)-5-ethyl-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-ethyl-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC[C@]1(C(=O)NC(=O)N1)C
Structure:
CAS RN: 30138-75-1
CAS Name: 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 141942-54-3
CAS Name: acetic acid [(2R)-3,3-dichloro-2-oxanyl] ester
OPENEYE Name: [(2R)-3,3-dichlorotetrahydropyran-2-yl] acetate
IUPAC Name: [(2R)-3,3-dichlorooxan-2-yl] acetate
SYSTEMATIC NAME: [(2R)-3,3-bis(chloranyl)oxan-2-yl] ethanoate
MOLECULAR FORMULA: C7H10Cl2O3
MOLECULAR WEIGHT: 213.0585
SMILES: CC(=O)O[C@@H]1C(CCCO1)(Cl)Cl
Structure:
CAS RN: 141942-54-3
CAS Name: acetic acid [(2S)-3,3-dichloro-2-oxanyl] ester
OPENEYE Name: [(2S)-3,3-dichlorotetrahydropyran-2-yl] acetate
IUPAC Name: [(2S)-3,3-dichlorooxan-2-yl] acetate
SYSTEMATIC NAME: [(2S)-3,3-bis(chloranyl)oxan-2-yl] ethanoate
MOLECULAR FORMULA: C7H10Cl2O3
MOLECULAR WEIGHT: 213.0585
SMILES: CC(=O)O[C@H]1C(CCCO1)(Cl)Cl
Structure:
CAS RN: 141942-52-1
CAS Name: acetic acid [(2R)-3,3-dichloro-2-oxolanyl] ester
OPENEYE Name: [(2R)-3,3-dichlorotetrahydrofuran-2-yl] acetate
IUPAC Name: [(2R)-3,3-dichlorooxolan-2-yl] acetate
SYSTEMATIC NAME: [(2R)-3,3-bis(chloranyl)oxolan-2-yl] ethanoate
MOLECULAR FORMULA: C6H8Cl2O3
MOLECULAR WEIGHT: 199.03192
SMILES: CC(=O)O[C@@H]1C(CCO1)(Cl)Cl
Structure:
CAS RN: 14080-58-1
CAS Name: 4-thieno[2,3-d]pyrimidinylhydrazine
OPENEYE Name: thieno[2,3-d]pyrimidin-4-ylhydrazine
IUPAC Name: thieno[2,3-d]pyrimidin-4-ylhydrazine
SYSTEMATIC NAME: thieno[2,3-d]pyrimidin-4-yldiazane
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: C1=CSC2=NC=NC(=C21)NN
Structure:
CAS RN: 14080-59-2
CAS Name: 4-chlorothieno[2,3-d]pyrimidine
OPENEYE Name: 4-chlorothieno[2,3-d]pyrimidine
IUPAC Name: 4-chlorothieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranylthieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C6H3ClN2S
MOLECULAR WEIGHT: 170.61942
SMILES: C1=CSC2=C1C(=NC=N2)Cl
Structure:
CAS RN: 4651-82-5
CAS Name: 2-amino-3-thiophenecarbonitrile
OPENEYE Name: 2-aminothiophene-3-carbonitrile
IUPAC Name: 2-aminothiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanylthiophene-3-carbonitrile
MOLECULAR FORMULA: C5H4N2S
MOLECULAR WEIGHT: 124.16366
SMILES: C1=CSC(=C1C#N)N
Structure:
CAS RN: 78583-84-3
CAS Name: (Z)-3-chloro-3-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-chloro-3-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-chloro-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-chloranyl-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC=C(C=C1)/C(=C/C#N)/Cl
Structure:
CAS RN: 5700-04-9
CAS Name: 1,3-diazepane-2-thione
OPENEYE Name: 1,3-diazepane-2-thione
IUPAC Name: 1,3-diazepane-2-thione
SYSTEMATIC NAME: 1,3-diazepane-2-thione
MOLECULAR FORMULA: C5H10N2S
MOLECULAR WEIGHT: 130.2113
SMILES: C1CCNC(=S)NC1
Structure:
CAS RN: 5752-04-5
CAS Name: 1,3-diazepane-2-thione
OPENEYE Name: 1,3-diazepane-2-thione
IUPAC Name: 1,3-diazepane-2-thione
SYSTEMATIC NAME: 1,3-diazepane-2-thione
MOLECULAR FORMULA: C5H10N2S
MOLECULAR WEIGHT: 130.2113
SMILES: C1CCNC(=S)NC1
Structure:
CAS RN: 5432-53-1
CAS Name: (E)-4-[4-(dimethylamino)phenyl]-3-buten-2-one
OPENEYE Name: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
IUPAC Name: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
SYSTEMATIC NAME: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 30625-58-2
CAS Name: (E)-4-[4-(dimethylamino)phenyl]-3-buten-2-one
OPENEYE Name: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
IUPAC Name: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
SYSTEMATIC NAME: (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 23845-55-8
CAS Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C8H5ClN2OS
MOLECULAR WEIGHT: 212.6561
SMILES: C1=CC(=CC=C1C2=NNC(=S)O2)Cl
Structure:
CAS RN: 203268-67-1
CAS Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C8H5ClN2OS
MOLECULAR WEIGHT: 212.6561
SMILES: C1=CC(=CC=C1C2=NNC(=S)O2)Cl
Structure:
CAS RN: 3160-40-5
CAS Name: (E)-4-(4-chlorophenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(4-chlorophenyl)but-3-en-2-one
IUPAC Name: (E)-4-(4-chlorophenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(4-chlorophenyl)but-3-en-2-one
MOLECULAR FORMULA: C10H9ClO
MOLECULAR WEIGHT: 180.63086
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)Cl
Structure:
CAS RN: 146381-88-6
CAS Name: 3-[(2-chloro-1-oxoethyl)amino]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[(2-chloroacetyl)amino]thiophene-2-carboxylate
IUPAC Name: methyl 3-[(2-chloroacetyl)amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2-chloranylethanoylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C8H8ClNO3S
MOLECULAR WEIGHT: 233.67202
SMILES: COC(=O)C1=C(C=CS1)NC(=O)CCl
Structure:
CAS RN: 6574-97-6
CAS Name: 2,3-dichlorobenzonitrile
OPENEYE Name: 2,3-dichlorobenzonitrile
IUPAC Name: 2,3-dichlorobenzonitrile
SYSTEMATIC NAME: 2,3-bis(chloranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H3Cl2N
MOLECULAR WEIGHT: 172.01142
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C#N
Structure:
CAS RN: 61593-48-4
CAS Name: 2,3-dichlorobenzonitrile
OPENEYE Name: 2,3-dichlorobenzonitrile
IUPAC Name: 2,3-dichlorobenzonitrile
SYSTEMATIC NAME: 2,3-bis(chloranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H3Cl2N
MOLECULAR WEIGHT: 172.01142
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C#N
Structure:
CAS RN: 50966-74-0
CAS Name: 2-(1-pyrrolyl)pyridine
OPENEYE Name: 2-pyrrol-1-ylpyridine
IUPAC Name: 2-pyrrol-1-ylpyridine
SYSTEMATIC NAME: 2-pyrrol-1-ylpyridine
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: C1=CC=NC(=C1)N2C=CC=C2
Structure:
CAS RN: 61291-91-6
CAS Name: (4-methyl-2-phenyl-5-thiazolyl)methanol
OPENEYE Name: (4-methyl-2-phenyl-thiazol-5-yl)methanol
IUPAC Name: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
SYSTEMATIC NAME: (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
MOLECULAR FORMULA: C11H11NOS
MOLECULAR WEIGHT: 205.27614
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)CO
Structure:
CAS RN: 465514-27-6
CAS Name: [4-(1-pyrrolyl)phenyl]methanamine
OPENEYE Name: (4-pyrrol-1-ylphenyl)methanamine
IUPAC Name: (4-pyrrol-1-ylphenyl)methanamine
SYSTEMATIC NAME: (4-pyrrol-1-ylphenyl)methanamine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CN
Structure:
CAS RN: 61471-45-2
CAS Name: 3-(1-pyrrolyl)benzoic acid
OPENEYE Name: 3-pyrrol-1-ylbenzoic acid
IUPAC Name: 3-pyrrol-1-ylbenzoic acid
SYSTEMATIC NAME: 3-pyrrol-1-ylbenzoic acid
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CN(C=C1)C2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 27913-99-1
CAS Name: 4-(4-methyl-1-piperazinyl)benzaldehyde
OPENEYE Name: 4-(4-methylpiperazin-1-yl)benzaldehyde
IUPAC Name: 4-(4-methylpiperazin-1-yl)benzaldehyde
SYSTEMATIC NAME: 4-(4-methylpiperazin-1-yl)benzaldehyde
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 16209-00-0
CAS Name: 4-(1-pyrazolyl)benzoic acid
OPENEYE Name: 4-pyrazol-1-ylbenzoic acid
IUPAC Name: 4-pyrazol-1-ylbenzoic acid
SYSTEMATIC NAME: 4-pyrazol-1-ylbenzoic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CN(N=C1)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 165736-03-8
CAS Name: (2-phenyl-4-thiazolyl)methanamine
OPENEYE Name: (2-phenylthiazol-4-yl)methanamine
IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methanamine
SYSTEMATIC NAME: (2-phenyl-1,3-thiazol-4-yl)methanamine
MOLECULAR FORMULA: C10H10N2S
MOLECULAR WEIGHT: 190.2648
SMILES: C1=CC=C(C=C1)C2=NC(=CS2)CN
Structure:
CAS RN: 337473-17-3
CAS Name: 4-ethyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H9N3S2
MOLECULAR WEIGHT: 211.30716
SMILES: CCN1C(=NNC1=S)C2=CC=CS2
Structure:
CAS RN: 29527-27-3
CAS Name: 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H8ClN3S
MOLECULAR WEIGHT: 225.69792
SMILES: CN1C(=NNC1=S)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 93300-54-0
CAS Name: 3-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H10ClN3S
MOLECULAR WEIGHT: 287.7673
SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 108124-17-0
CAS Name: 2-methyl-5-phenyl-3-furancarboxylic acid
OPENEYE Name: 2-methyl-5-phenyl-furan-3-carboxylic acid
IUPAC Name: 2-methyl-5-phenylfuran-3-carboxylic acid
SYSTEMATIC NAME: 2-methyl-5-phenyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 2644-93-1
CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 1,3,5-trimethylpyrazole-4-carbaldehyde
IUPAC Name: 1,3,5-trimethylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1,3,5-trimethylpyrazole-4-carbaldehyde
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=C(C(=NN1C)C)C=O
Structure:
CAS RN: 26639-29-2
CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 1,3,5-trimethylpyrazole-4-carbaldehyde
IUPAC Name: 1,3,5-trimethylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1,3,5-trimethylpyrazole-4-carbaldehyde
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=C(C(=NN1C)C)C=O
Structure:
CAS RN: 1125-29-7
CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid
OPENEYE Name: 1,3,5-trimethylpyrazole-4-carboxylic acid
IUPAC Name: 1,3,5-trimethylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 1,3,5-trimethylpyrazole-4-carboxylic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=C(C(=NN1C)C)C(=O)O
Structure:
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