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

Systemtic Name: ethyl 4-azanyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-2-17-12(16)9-10(13)14-7-5-3-4-6-8(7)15-11(9)18/h3-6,14H,2,13H2,1H3,(H,15,18)