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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC(=CC=C4)OC

InChI

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