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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N4OS/c24-17(13-25-19-20-18(21-22-19)16-6-7-16)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,21,22)