2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H20N4O2S/c1-29-21-13-12-20(14-22(21)30-2)28-23(17-8-4-3-5-9-17)26-27-24(28)31-16-19-11-7-6-10-18(19)15-25/h3-14H,16H2,1-2H3