2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

InChI

InChI=1S/C18H22N4OS/c23-17(22-11-5-2-6-12-22)15(13-7-3-1-4-8-13)24-18-19-16(20-21-18)14-9-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,19,20,21)