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

Systemtic Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-phenyl-acetamide Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N5OS/c27-17-10-18-31(22-15-8-3-9-16-22)23(32)19-33-26-28-24(20-11-4-1-5-12-20)25(29-30-26)21-13-6-2-7-14-21/h1-9,11-16H,10,18-19H2