ethyl 8-chloranyl-6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-chloro-6-thioxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-chloro-6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-6-sulfanylidene-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-chloro-6-thioxo-4,5-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CNC(=S)C3=C(N2C=N1)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C2CNC(=S)C3=C(N2C=N1)C=CC(=C3)Cl

InChI

InChI=1S/C14H12ClN3O2S/c1-2-20-14(19)12-11-6-16-13(21)9-5-8(15)3-4-10(9)18(11)7-17-12/h3-5,7H,2,6H2,1H3,(H,16,21)