ethanoic acid; (3S)-1-[6-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazine

Systemtic Name: ethanoic acid; (3S)-1-[6-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazine Openeye Name: acetic acid; (3S)-1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine CAS Name: acetic acid; (3S)-1-[6-(ethylthio)-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine IUPAC Name: acetic acid; (3S)-1-[6-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazine Traditional Name: acetic acid; (3S)-1-[6-(ethylthio)-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine Formula: C15H22F3N3O2S MolecularWeight: 365.41429

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=N1)N2CCNC(C2)C)C(F)(F)F.CC(=O)O

Isomeric SMILES

CCSC1=C(C=CC(=N1)N2CCN[C@H](C2)C)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C13H18F3N3S.C2H4O2/c1-3-20-12-10(13(14,15)16)4-5-11(18-12)19-7-6-17-9(2)8-19;1-2(3)4/h4-5,9,17H,3,6-8H2,1-2H3;1H3,(H,3,4)/t9-;/m0./s1