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

Systemtic Name: 4-methoxy-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]-4-methoxy-phenol CAS Name: 4-methoxy-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]-4-methoxyphenol Traditional Name: 2-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-4-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)30-16-17-7-4-3-5-8-17)18-9-6-12-27(14-18)15-19-13-20(29-2)10-11-21(19)28/h3-5,7-8,10-11,13,18,28H,6,9,12,14-16H2,1-2H3