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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C24H20N4OS/c1-17-11-13-20(14-12-17)28-23(21-9-5-6-10-22(21)29-2)26-27-24(28)30-16-19-8-4-3-7-18(19)15-25/h3-14H,16H2,1-2H3