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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-isopropyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-isopropyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=C(C=C2)OC)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4OS/c1-14(2)19-22-23-20(24(19)17-8-10-18(25-3)11-9-17)26-13-16-6-4-15(12-21)5-7-16/h4-11,14H,13H2,1-3H3