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

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]benzonitrile Formula: C25H20N4S MolecularWeight: 408.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H20N4S/c1-17-7-11-19(12-8-17)23-24(20-13-9-18(2)10-14-20)28-29-25(27-23)30-16-22-6-4-3-5-21(22)15-26/h3-14H,16H2,1-2H3