methyl 5-oxidanylidene-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate

Systemtic Name: methyl 5-oxidanylidene-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 5-oxo-4-phenyl-3-thioxo-1,2-dihydro-1,2,4-triazepine-7-carboxylate CAS Name: 5-oxo-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-4-phenyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate Traditional Name: 5-keto-4-phenyl-3-thioxo-1,2-dihydro-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=S)NN1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=S)NN1)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3O3S/c1-18-11(17)9-7-10(16)15(12(19)14-13-9)8-5-3-2-4-6-8/h2-7,13H,1H3,(H,14,19)