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

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-20(16-28-22-23-21(24-25-22)19-9-5-2-6-10-19)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H,23,24,25)