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

Systemtic Name: 2-[(5,6-diphenyl-1H-1,2,4-triazin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5,6-diphenyl-1H-1,2,4-triazin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5,6-diphenyl-1H-1,2,4-triazin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5,6-diphenyl-1H-1,2,4-triazin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5,6-diphenyl-1H-1,2,4-triazin-2-yl)thio]methyl]benzonitrile Formula: C23H18N4S MolecularWeight: 382.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=CN(N2)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=CN(N2)SCC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4S/c24-15-20-13-7-8-14-21(20)16-28-27-17-25-22(18-9-3-1-4-10-18)23(26-27)19-11-5-2-6-12-19/h1-14,17,26H,16H2