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

Systemtic Name: methyl 1-ethanoyl-5-oxidanylidene-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 1-acetyl-5-oxo-4-phenyl-3-thioxo-2H-1,2,4-triazepine-7-carboxylate CAS Name: 1-acetyl-5-oxo-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-oxo-4-phenyl-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Traditional Name: 1-acetyl-5-keto-4-phenyl-3-thioxo-2H-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC(=O)N(C(=S)N1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1C(=CC(=O)N(C(=S)N1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H13N3O4S/c1-9(18)17-11(13(20)21-2)8-12(19)16(14(22)15-17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,22)