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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

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