ethanoic acid; 1-[6-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: ethanoic acid; 1-[6-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; 1-[6-(m-tolylsulfanyl)-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: acetic acid; 1-[6-[(3-methylphenyl)thio]-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; 1-[6-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; 1-[6-(m-tolylthio)-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C19H22F3N3O2S MolecularWeight: 413.45709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(C=CC(=N2)N3CCNCC3)C(F)(F)F.CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C=CC(=N2)N3CCNCC3)C(F)(F)F.CC(=O)O

InChI

InChI=1S/C17H18F3N3S.C2H4O2/c1-12-3-2-4-13(11-12)24-16-14(17(18,19)20)5-6-15(22-16)23-9-7-21-8-10-23;1-2(3)4/h2-6,11,21H,7-10H2,1H3;1H3,(H,3,4)