2-phenyl-1-piperidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 2-phenyl-1-piperidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 2-phenyl-1-(1-piperidyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 2-phenyl-1-(1-piperidinyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 2-phenyl-1-piperidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 2-phenyl-1-piperidino-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC=NN3

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC=NN3

InChI

InChI=1S/C15H18N4OS/c20-14(19-9-5-2-6-10-19)13(12-7-3-1-4-8-12)21-15-16-11-17-18-15/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17,18)