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

Systemtic Name: 2-[[4-[4-(oxolan-2-ylmethyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-[[4-[5-phenethylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidyl]methyl]phenol CAS Name: 2-[[4-[4-(2-oxolanylmethyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-[[4-[4-(oxolan-2-ylmethyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-[[4-[5-(phenethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]piperidino]methyl]phenol Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCC3=CC=CC=C3)C4CCN(CC4)CC5=CC=CC=C5O

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCC3=CC=CC=C3)C4CCN(CC4)CC5=CC=CC=C5O

InChI

InChI=1S/C27H34N4O2S/c32-25-11-5-4-9-23(25)19-30-15-12-22(13-16-30)26-28-29-27(31(26)20-24-10-6-17-33-24)34-18-14-21-7-2-1-3-8-21/h1-5,7-9,11,22,24,32H,6,10,12-20H2