2-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]phenol CAS Name: 2-[[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenol Traditional Name: 2-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]phenol Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC=CC=C4O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H26N4OS/c1-25-21(23-24-22(25)28-16-17-8-3-2-4-9-17)19-11-7-13-26(15-19)14-18-10-5-6-12-20(18)27/h2-6,8-10,12,19,27H,7,11,13-16H2,1H3