N-[[4-(4-methoxyphenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline Openeye Name: N-[[4-(4-methoxyphenyl)-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methyl-aniline CAS Name: N-[[4-(4-methoxyphenyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-4-methylaniline IUPAC Name: N-[[4-(4-methoxyphenyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methylaniline Traditional Name: [4-(4-methoxyphenyl)-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]methyl-(p-tolyl)amine Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCCN4CCCCC4

InChI

InChI=1S/C24H31N5OS/c1-19-6-8-20(9-7-19)25-18-23-26-27-24(31-17-16-28-14-4-3-5-15-28)29(23)21-10-12-22(30-2)13-11-21/h6-13,25H,3-5,14-18H2,1-2H3