1-[(2S)-2-ethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-13-5-3-4-10-21(13)14(22)11-23-16-18-15(19-20-16)12-6-8-17-9-7-12/h6-9,13H,2-5,10-11H2,1H3,(H,18,19,20)/t13-/m0/s1