ethyl 5-methyl-6-sulfanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 5-methyl-6-sulfanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-methyl-6-thioxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-sulfanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-sulfanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-methyl-6-thioxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(C(=S)C3=CC=CC=C3N2C=N1)C

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=S)C3=CC=CC=C3N2C=N1)C

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)13-12-8-17(2)14(21)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3