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

Systemtic Name: ethanoic acid; 1-[6-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; 1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: acetic acid; 1-[6-(ethylthio)-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; 1-[6-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; 1-[6-(ethylthio)-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C14H20F3N3O2S MolecularWeight: 351.38771

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=N1)N2CCNCC2)C(F)(F)F.CC(=O)O

Isomeric SMILES

CCSC1=C(C=CC(=N1)N2CCNCC2)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C12H16F3N3S.C2H4O2/c1-2-19-11-9(12(13,14)15)3-4-10(17-11)18-7-5-16-6-8-18;1-2(3)4/h3-4,16H,2,5-8H2,1H3;1H3,(H,3,4)