methyl 4-azanyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-azanyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 4-amino-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2NC1=S)N

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2NC1=S)N

InChI

InChI=1S/C11H11N3O2S/c1-16-11(15)8-9(12)13-6-4-2-3-5-7(6)14-10(8)17/h2-5,13H,12H2,1H3,(H,14,17)