2-methoxy-6-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[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]-6-methoxy-phenol CAS Name: 2-methoxy-6-[[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]-6-methoxyphenol Traditional Name: 2-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-6-methoxy-phenol Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=C(C(=CC=C4)OC)O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=C(C(=CC=C4)OC)O

InChI

InChI=1S/C23H28N4O2S/c1-26-22(24-25-23(26)30-16-17-8-4-3-5-9-17)19-11-7-13-27(15-19)14-18-10-6-12-20(29-2)21(18)28/h3-6,8-10,12,19,28H,7,11,13-16H2,1-2H3