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

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetonitrile IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetonitrile Formula: C17H12N4S MolecularWeight: 304.36898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4S/c18-11-12-22-17-19-15(13-7-3-1-4-8-13)16(20-21-17)14-9-5-2-6-10-14/h1-10H,12H2