2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(m-tolyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H22N4OS/c1-3-30-23-13-11-22(12-14-23)29-24(19-10-6-7-18(2)15-19)27-28-25(29)31-17-21-9-5-4-8-20(21)16-26/h4-15H,3,17H2,1-2H3