4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzonitrile Formula: C23H16N4S MolecularWeight: 380.46494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H16N4S/c24-15-17-11-13-18(14-12-17)16-28-23-25-21(19-7-3-1-4-8-19)22(26-27-23)20-9-5-2-6-10-20/h1-14H,16H2