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

Systemtic Name: 2-ethoxy-4-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol Openeye Name: 4-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-2-ethoxy-phenol CAS Name: 2-ethoxy-4-[[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenol IUPAC Name: 4-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-2-ethoxy-phenol Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C3=NN=C(N3C)SCC4=CC=CC=C4)O

InChI

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