2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c31-21(27-24(32)26-16-18-10-4-1-5-11-18)17-33-25-28-22(19-12-6-2-7-13-19)23(29-30-25)20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,26,27,31,32)