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

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4OS/c1-14(2)18-20-19(22-21-18)25-13-17(24)23-10-8-16(9-11-23)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21,22)