methyl 1-ethanoyl-5-oxidanylidene-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate

Systemtic Name: methyl 1-ethanoyl-5-oxidanylidene-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 1-acetyl-4-benzyl-5-oxo-3-thioxo-2H-1,2,4-triazepine-7-carboxylate CAS Name: 1-acetyl-5-oxo-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-benzyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazepine-7-carboxylate Traditional Name: 1-acetyl-4-benzyl-5-keto-3-thioxo-2H-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC(=O)N(C(=S)N1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1C(=CC(=O)N(C(=S)N1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H15N3O4S/c1-10(19)18-12(14(21)22-2)8-13(20)17(15(23)16-18)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,23)