1-(4-methylpiperidin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[4-phenethyl-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:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5OS/c1-18-9-14-27(15-10-18)21(29)17-30-23-26-25-22(20-7-12-24-13-8-20)28(23)16-11-19-5-3-2-4-6-19/h2-8,12-13,18H,9-11,14-17H2,1H3