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

Systemtic Name: methyl 5-oxidanylidene-2-phenyl-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 4-benzyl-5-oxo-2-phenyl-3-thioxo-1H-1,2,4-triazepine-7-carboxylate CAS Name: 5-oxo-2-phenyl-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-5-oxo-2-phenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Traditional Name: 4-benzyl-5-keto-2-phenyl-3-thioxo-1H-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=S)N(N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=S)N(N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-25-18(24)16-12-17(23)21(13-14-8-4-2-5-9-14)19(26)22(20-16)15-10-6-3-7-11-15/h2-12,20H,13H2,1H3