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

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-2-14-10-6-7-11-21(14)15(22)12-23-17-18-16(19-20-17)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,18,19,20)/t14-/m0/s1