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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5OS/c1-2-28-22(20-8-12-24-13-9-20)25-26-23(28)30-17-21(29)27-14-10-19(11-15-27)16-18-6-4-3-5-7-18/h3-9,12-13,19H,2,10-11,14-17H2,1H3