CAS RN: 13363-51-4
CAS Name: benzene-1,4-dicarbothioamide
OPENEYE Name: benzene-1,4-dicarbothioamide
IUPAC Name: benzene-1,4-dicarbothioamide
SYSTEMATIC NAME: benzene-1,4-dicarbothioamide
MOLECULAR FORMULA: C8H8N2S2
MOLECULAR WEIGHT: 196.29252
SMILES: C1=CC(=CC=C1C(=S)N)C(=S)N
Structure:
CAS RN: 53218-26-1
CAS Name: 6-bromo-1,3-benzothiazole
OPENEYE Name: 6-bromo-1,3-benzothiazole
IUPAC Name: 6-bromo-1,3-benzothiazole
SYSTEMATIC NAME: 6-bromanyl-1,3-benzothiazole
MOLECULAR FORMULA: C7H4BrNS
MOLECULAR WEIGHT: 214.08236
SMILES: C1=CC2=C(C=C1Br)SC=N2
Structure:
CAS RN: 181124-40-3
CAS Name: 1,3-benzothiazole-6-sulfonyl chloride
OPENEYE Name: 1,3-benzothiazole-6-sulfonyl chloride
IUPAC Name: 1,3-benzothiazole-6-sulfonyl chloride
SYSTEMATIC NAME: 1,3-benzothiazole-6-sulfonyl chloride
MOLECULAR FORMULA: C7H4ClNO2S2
MOLECULAR WEIGHT: 233.69516
SMILES: C1=CC2=C(C=C1S(=O)(=O)Cl)SC=N2
Structure:
CAS RN: 160455-77-6
CAS Name: 6-isocyanatoquinoline
OPENEYE Name: 6-isocyanatoquinoline
IUPAC Name: 6-isocyanatoquinoline
SYSTEMATIC NAME: 6-isocyanatoquinoline
MOLECULAR FORMULA: C10H6N2O
MOLECULAR WEIGHT: 170.16744
SMILES: C1=CC2=C(C=CC(=C2)N=C=O)N=C1
Structure:
CAS RN: 4734-08-1
CAS Name: 2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid methyl ester
OPENEYE Name: methyl 2-amino-3-(1H-indol-3-yl)-2-methyl-propanoate
IUPAC Name: methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate
SYSTEMATIC NAME: methyl 2-azanyl-3-(1H-indol-3-yl)-2-methyl-propanoate
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CC(CC1=CNC2=CC=CC=C21)(C(=O)OC)N
Structure:
CAS RN: 56576-86-4
CAS Name: (2S)-2-[(2-chloro-1-oxoethyl)amino]pentanedioic acid
OPENEYE Name: (2S)-2-[(2-chloroacetyl)amino]pentanedioic acid
IUPAC Name: (2S)-2-[(2-chloroacetyl)amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-(2-chloranylethanoylamino)pentanedioic acid
MOLECULAR FORMULA: C7H10ClNO5
MOLECULAR WEIGHT: 223.611
SMILES: C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CCl
Structure:
CAS RN: 486414-83-9
CAS Name: (1-methyl-4-imidazolyl)methanamine
OPENEYE Name: (1-methylimidazol-4-yl)methanamine
IUPAC Name: (1-methylimidazol-4-yl)methanamine
SYSTEMATIC NAME: (1-methylimidazol-4-yl)methanamine
MOLECULAR FORMULA: C5H9N3
MOLECULAR WEIGHT: 111.14506
SMILES: CN1C=C(N=C1)CN
Structure:
CAS RN: 24623-20-9
CAS Name: 6-methyl-2,3-dihydroinden-1-one
OPENEYE Name: 6-methylindan-1-one
IUPAC Name: 6-methyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 6-methyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC1=CC2=C(CCC2=O)C=C1
Structure:
CAS RN: 26214-68-6
CAS Name: 1-methyl-2-pyrrolecarbonyl chloride
OPENEYE Name: 1-methylpyrrole-2-carbonyl chloride
IUPAC Name: 1-methylpyrrole-2-carbonyl chloride
SYSTEMATIC NAME: 1-methylpyrrole-2-carbonyl chloride
MOLECULAR FORMULA: C6H6ClNO
MOLECULAR WEIGHT: 143.57094
SMILES: CN1C=CC=C1C(=O)Cl
Structure:
CAS RN: 15109-94-1
CAS Name: 2-bromo-1-(2-furanyl)ethanone
OPENEYE Name: 2-bromo-1-(2-furyl)ethanone
IUPAC Name: 2-bromo-1-(furan-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(furan-2-yl)ethanone
MOLECULAR FORMULA: C6H5BrO2
MOLECULAR WEIGHT: 189.0067
SMILES: C1=COC(=C1)C(=O)CBr
Structure:
CAS RN: 148703-14-4
CAS Name: 2,3-dihydro-1,4-benzodioxin-5-carbonitrile
OPENEYE Name: 2,3-dihydro-1,4-benzodioxine-5-carbonitrile
IUPAC Name: 2,3-dihydro-1,4-benzodioxine-5-carbonitrile
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxine-5-carbonitrile
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1COC2=C(C=CC=C2O1)C#N
Structure:
CAS RN: 19815-97-5
CAS Name: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
OPENEYE Name: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
IUPAC Name: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
MOLECULAR FORMULA: C10H9BrO3
MOLECULAR WEIGHT: 257.08066
SMILES: C1COC2=C(C=CC=C2O1)C(=O)CBr
Structure:
CAS RN: 53584-22-8
CAS Name: 2-tert-butylbenzenethiol
OPENEYE Name: 2-tert-butylbenzenethiol
IUPAC Name: 2-tert-butylbenzenethiol
SYSTEMATIC NAME: 2-tert-butylbenzenethiol
MOLECULAR FORMULA: C10H14S
MOLECULAR WEIGHT: 166.28316
SMILES: CC(C)(C)C1=CC=CC=C1S
Structure:
CAS RN: 38533-61-8
CAS Name: 2-chloro-6-methoxy-3-nitropyridine
OPENEYE Name: 2-chloro-6-methoxy-3-nitro-pyridine
IUPAC Name: 2-chloro-6-methoxy-3-nitropyridine
SYSTEMATIC NAME: 2-chloranyl-6-methoxy-3-nitro-pyridine
MOLECULAR FORMULA: C6H5ClN2O3
MOLECULAR WEIGHT: 188.5685
SMILES: COC1=NC(=C(C=C1)[N+](=O)[O-])Cl
Structure:
CAS RN: 196799-45-8
CAS Name: 2,3-dihydrobenzofuran-7-carboxaldehyde
OPENEYE Name: 2,3-dihydrobenzofuran-7-carbaldehyde
IUPAC Name: 2,3-dihydro-1-benzofuran-7-carbaldehyde
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-7-carbaldehyde
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1COC2=C(C=CC=C21)C=O
Structure:
CAS RN: 151155-53-2
CAS Name: 2,3-dihydrobenzofuran-7-carboxylic acid
OPENEYE Name: 2,3-dihydrobenzofuran-7-carboxylic acid
IUPAC Name: 2,3-dihydro-1-benzofuran-7-carboxylic acid
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-7-carboxylic acid
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C1COC2=C(C=CC=C21)C(=O)O
Structure:
CAS RN: 66410-67-1
CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid
OPENEYE Name: 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
SYSTEMATIC NAME: 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1COC2=CC=CC(=C2OC1)C(=O)O
Structure:
CAS RN: 100721-33-3
CAS Name: 2-chloro-N-cyclohexyl-N-phenylacetamide
OPENEYE Name: 2-chloro-N-cyclohexyl-N-phenyl-acetamide
IUPAC Name: 2-chloro-N-cyclohexyl-N-phenylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclohexyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C14H18ClNO
MOLECULAR WEIGHT: 251.75182
SMILES: C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CCl
Structure:
CAS RN: 5866-97-7
CAS Name: 2,6-dichloro-3-nitrobenzaldehyde
OPENEYE Name: 2,6-dichloro-3-nitro-benzaldehyde
IUPAC Name: 2,6-dichloro-3-nitrobenzaldehyde
SYSTEMATIC NAME: 2,6-bis(chloranyl)-3-nitro-benzaldehyde
MOLECULAR FORMULA: C7H3Cl2NO3
MOLECULAR WEIGHT: 220.00962
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C=O)Cl
Structure:
CAS RN: 41513-04-6
CAS Name: 1-bromo-4-chloro-2-nitrobenzene
OPENEYE Name: 1-bromo-4-chloro-2-nitro-benzene
IUPAC Name: 1-bromo-4-chloro-2-nitrobenzene
SYSTEMATIC NAME: 1-bromanyl-4-chloranyl-2-nitro-benzene
MOLECULAR FORMULA: C6H3BrClNO2
MOLECULAR WEIGHT: 236.45052
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br
Structure:
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