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

Systemtic Name: 1-(4-phenylpiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(4-phenyl-1-piperidyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(4-phenyl-1-piperidinyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(4-phenylpiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(4-phenylpiperidino)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS/c1-12(22-16-17-11-18-19-16)15(21)20-9-7-14(8-10-20)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,17,18,19)