methyl 5-oxidanylidene-2-sulfanylidene-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylate

Systemtic Name: methyl 5-oxidanylidene-2-sulfanylidene-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylate Openeye Name: methyl 5-oxo-2-thioxo-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylate CAS Name: 5-oxo-2-sulfanylidene-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-2-sulfanylidene-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylate Traditional Name: 5-keto-2-thioxo-1,4-dihydro-1,3,4-benzotriazepine-3-carboxylic acid methyl ester Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=S)NC2=CC=CC=C2C(=O)N1

Isomeric SMILES

COC(=O)N1C(=S)NC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C10H9N3O3S/c1-16-10(15)13-9(17)11-7-5-3-2-4-6(7)8(14)12-13/h2-5H,1H3,(H,11,17)(H,12,14)