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

Systemtic Name: 3-[[4-[4-(oxolan-2-ylmethyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine Openeye Name: 3-[[4-[5-phenethylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidyl]methyl]pyridine CAS Name: 3-[[4-[4-(2-oxolanylmethyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]pyridine IUPAC Name: 3-[[4-[4-(oxolan-2-ylmethyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine Traditional Name: 3-[[4-[5-(phenethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]piperidino]methyl]pyridine Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCC3=CC=CC=C3)C4CCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCC3=CC=CC=C3)C4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C26H33N5OS/c1-2-6-21(7-3-1)12-17-33-26-29-28-25(31(26)20-24-9-5-16-32-24)23-10-14-30(15-11-23)19-22-8-4-13-27-18-22/h1-4,6-8,13,18,23-24H,5,9-12,14-17,19-20H2