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

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

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C

InChI

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