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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3CCCCC3)CNC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3CCCCC3)CNC4=CC=C(C=C4)OC

InChI

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