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

Systemtic Name: tert-butyl 5-methyl-6-sulfanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-17(2,3)22-16(21)14-13-9-19(4)15(23)11-7-5-6-8-12(11)20(13)10-18-14/h5-8,10H,9H2,1-4H3