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

Systemtic Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5OS/c21-12-7-13-22-17(26)14-27-20-23-18(15-8-3-1-4-9-15)19(24-25-20)16-10-5-2-6-11-16/h1-6,8-11H,7,13-14H2,(H,22,26)