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

Systemtic Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C(C=C3)C#N)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C

InChI

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