CAS RN: 125298-97-7
CAS Name: 2-(3,4-dimethylphenoxy)acetohydrazide
OPENEYE Name: 2-(3,4-dimethylphenoxy)acetohydrazide
IUPAC Name: 2-(3,4-dimethylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(3,4-dimethylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC1=C(C=C(C=C1)OCC(=O)NN)C
Structure:
CAS RN: 39181-43-6
CAS Name: 5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C9H8ClN3S
MOLECULAR WEIGHT: 225.69792
SMILES: C1=CC(=CC=C1CC2=NN=C(S2)N)Cl
Structure:
CAS RN: 1798-99-8
CAS Name: 2-(3-bromophenoxy)acetic acid
OPENEYE Name: 2-(3-bromophenoxy)acetic acid
IUPAC Name: 2-(3-bromophenoxy)acetic acid
SYSTEMATIC NAME: 2-(3-bromanylphenoxy)ethanoic acid
MOLECULAR FORMULA: C8H7BrO3
MOLECULAR WEIGHT: 231.04338
SMILES: C1=CC(=CC(=C1)Br)OCC(=O)O
Structure:
CAS RN: 1011-92-3
CAS Name: (Z)-2-cyano-3-phenyl-2-propenoic acid
OPENEYE Name: (Z)-2-cyano-3-phenyl-prop-2-enoic acid
IUPAC Name: (Z)-2-cyano-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-cyano-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C(C=C1)/C=C(/C#N)\C(=O)O
Structure:
CAS RN: 16942-66-8
CAS Name: 5-methyl-4-(4-methylphenyl)-2-thiazolamine
OPENEYE Name: 5-methyl-4-(p-tolyl)thiazol-2-amine
IUPAC Name: 5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C11H12N2S
MOLECULAR WEIGHT: 204.29138
SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)N)C
Structure:
CAS RN: 17403-09-7
CAS Name: 3-(4-piperidinyl)-1H-indole
OPENEYE Name: 3-(4-piperidyl)-1H-indole
IUPAC Name: 3-piperidin-4-yl-1H-indole
SYSTEMATIC NAME: 3-piperidin-4-yl-1H-indole
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: C1CNCCC1C2=CNC3=CC=CC=C32
Structure:
CAS RN: 17490-72-1
CAS Name: 3-(4-piperidinyl)-1H-indole
OPENEYE Name: 3-(4-piperidyl)-1H-indole
IUPAC Name: 3-piperidin-4-yl-1H-indole
SYSTEMATIC NAME: 3-piperidin-4-yl-1H-indole
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: C1CNCCC1C2=CNC3=CC=CC=C32
Structure:
CAS RN: 67037-01-8
CAS Name: 2-(5-phenyl-2-tetrazolyl)acetohydrazide
OPENEYE Name: 2-(5-phenyltetrazol-2-yl)acetohydrazide
IUPAC Name: 2-(5-phenyltetrazol-2-yl)acetohydrazide
SYSTEMATIC NAME: 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanehydrazide
MOLECULAR FORMULA: C9H10N6O
MOLECULAR WEIGHT: 218.2153
SMILES: C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN
Structure:
CAS RN: 56348-79-9
CAS Name: (4S)-4-hydroxy-3,4-diphenyl-1-cyclopent-2-enone
OPENEYE Name: (4S)-4-hydroxy-3,4-diphenyl-cyclopent-2-en-1-one
IUPAC Name: (4S)-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: (4S)-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1C(=O)C=C([C@]1(C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 5587-78-0
CAS Name: (4S)-4-hydroxy-3,4-diphenyl-1-cyclopent-2-enone
OPENEYE Name: (4S)-4-hydroxy-3,4-diphenyl-cyclopent-2-en-1-one
IUPAC Name: (4S)-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: (4S)-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1C(=O)C=C([C@]1(C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 5587-78-0
CAS Name: (4R)-4-hydroxy-3,4-diphenyl-1-cyclopent-2-enone
OPENEYE Name: (4R)-4-hydroxy-3,4-diphenyl-cyclopent-2-en-1-one
IUPAC Name: (4R)-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: (4R)-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1C(=O)C=C([C@@]1(C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 138417-37-5
CAS Name: 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-methyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2C
Structure:
CAS RN: 55303-92-9
CAS Name: 6-(2-aminophenyl)-3-(methylthio)-2H-1,2,4-triazin-5-one
OPENEYE Name: 6-(2-aminophenyl)-3-methylsulfanyl-2H-1,2,4-triazin-5-one
IUPAC Name: 6-(2-aminophenyl)-3-methylsulfanyl-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 6-(2-aminophenyl)-3-methylsulfanyl-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C10H10N4OS
MOLECULAR WEIGHT: 234.2776
SMILES: CSC1=NC(=O)C(=NN1)C2=CC=CC=C2N
Structure:
CAS RN: 241488-81-3
CAS Name: 1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(4-iodophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(4-iodophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C13H12INO
MOLECULAR WEIGHT: 325.14495
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=O
Structure:
CAS RN: 40675-81-8
CAS Name: 1-(1-naphthalenylmethyl)piperazine
OPENEYE Name: 1-(1-naphthylmethyl)piperazine
IUPAC Name: 1-(naphthalen-1-ylmethyl)piperazine
SYSTEMATIC NAME: 1-(naphthalen-1-ylmethyl)piperazine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: C1CN(CCN1)CC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 461-53-0
CAS Name: 1-(1-naphthalenylmethyl)piperazine
OPENEYE Name: 1-(1-naphthylmethyl)piperazine
IUPAC Name: 1-(naphthalen-1-ylmethyl)piperazine
SYSTEMATIC NAME: 1-(naphthalen-1-ylmethyl)piperazine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: C1CN(CCN1)CC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 82822-12-6
CAS Name: 2-[5-(4-methylphenyl)-2-tetrazolyl]acetic acid
OPENEYE Name: 2-[5-(p-tolyl)tetrazol-2-yl]acetic acid
IUPAC Name: 2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
SYSTEMATIC NAME: 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H10N4O2
MOLECULAR WEIGHT: 218.212
SMILES: CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O
Structure:
CAS RN: 123971-45-9
CAS Name: 4-(5-chloro-2-thiophenyl)-2-thiazolamine
OPENEYE Name: 4-(5-chloro-2-thienyl)thiazol-2-amine
IUPAC Name: 4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C7H5ClN2S2
MOLECULAR WEIGHT: 216.711
SMILES: C1=C(SC(=C1)Cl)C2=CSC(=N2)N
Structure:
CAS RN: 16441-28-4
CAS Name: 2-(2-phenyl-4-thiazolyl)acetic acid
OPENEYE Name: 2-(2-phenylthiazol-4-yl)acetic acid
IUPAC Name: 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
SYSTEMATIC NAME: 2-(2-phenyl-1,3-thiazol-4-yl)ethanoic acid
MOLECULAR FORMULA: C11H9NO2S
MOLECULAR WEIGHT: 219.25966
SMILES: C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)O
Structure:
CAS RN: 621-40-9
CAS Name: (3-methylphenyl)thiourea
OPENEYE Name: m-tolylthiourea
IUPAC Name: (3-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(3-methylphenyl)thiourea
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CC1=CC(=CC=C1)NC(=S)N
Structure:
CAS RN: 369396-84-9
CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(5-chloranyl-2-methoxy-phenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H12ClN3OS
MOLECULAR WEIGHT: 281.76118
SMILES: COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC=C
Structure:
CAS RN: 174574-01-7
CAS Name: 4-ethyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CCN1C(=NNC1=S)C2=CC=CC=C2C
Structure:
CAS RN: 369394-90-1
CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(5-chloro-2-methoxy-phenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H12ClN3OS
MOLECULAR WEIGHT: 269.75048
SMILES: CCN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC
Structure:
CAS RN: 370855-34-8
CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(5-chloro-2-methoxy-phenyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(5-chloranyl-2-methoxy-phenyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H10ClN3OS
MOLECULAR WEIGHT: 255.7239
SMILES: CN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC
Structure:
CAS RN: 59337-89-2
CAS Name: 3-chloro-2-thiophenecarboxylic acid
OPENEYE Name: 3-chlorothiophene-2-carboxylic acid
IUPAC Name: 3-chlorothiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranylthiophene-2-carboxylic acid
MOLECULAR FORMULA: C5H3ClO2S
MOLECULAR WEIGHT: 162.59412
SMILES: C1=CSC(=C1Cl)C(=O)O
Structure:
CAS RN: 13855-80-6
CAS Name: 4-(1,3-dioxo-2-isoindolyl)-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoate
IUPAC Name: ethyl 4-(1,3-dioxoisoindol-2-yl)-3-oxobutanoate
SYSTEMATIC NAME: ethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: CCOC(=O)CC(=O)CN1C(=O)C2=CC=CC=C2C1=O
Structure:
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