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

Systemtic Name: 2-ethoxy-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-ethoxy-phenol CAS Name: 2-ethoxy-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-ethoxyphenol Traditional Name: 2-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-6-ethoxy-phenol Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2S/c1-3-30-21-13-7-11-19(22(21)29)15-28-14-8-12-20(16-28)23-25-26-24(27(23)2)31-17-18-9-5-4-6-10-18/h4-7,9-11,13,20,29H,3,8,12,14-17H2,1-2H3