2-[4-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-oxo-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-keto-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]thio]methyl]phenyl]benzonitrile Formula: C24H18N4OS MolecularWeight: 410.49092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H18N4OS/c1-16-6-10-19(11-7-16)22-23(29)26-24(28-27-22)30-15-17-8-12-18(13-9-17)21-5-3-2-4-20(21)14-25/h2-13H,15H2,1H3,(H,26,28,29)