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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-13-18-17(20-19-13)23-12-16(22)21-9-7-15(8-10-21)11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,19,20)