1-(4-phenylmethoxypiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: 1-(4-phenylmethoxypiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(4-benzyloxy-1-piperidyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(4-phenylmethoxy-1-piperidinyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(4-phenylmethoxypiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(4-benzoxypiperidino)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OCC2=CC=CC=C2)SC3=NC=NN3

Isomeric SMILES

CC(C(=O)N1CCC(CC1)OCC2=CC=CC=C2)SC3=NC=NN3

InChI

InChI=1S/C17H22N4O2S/c1-13(24-17-18-12-19-20-17)16(22)21-9-7-15(8-10-21)23-11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3,(H,18,19,20)