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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-methoxyphenyl)-4-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-methoxyphenyl)-4-[2-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-methoxyphenyl)-4-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCN3CCCCC3)SCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCN3CCCCC3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C24H27N5OS/c1-30-22-12-6-5-11-21(22)23-26-27-24(29(23)16-15-28-13-7-2-8-14-28)31-18-20-10-4-3-9-19(20)17-25/h3-6,9-12H,2,7-8,13-16,18H2,1H3