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

Systemtic Name: ethanoic acid; 1-[6-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: acetic acid; 1-[6-(3-thienylmethoxy)-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: acetic acid; 1-[6-(3-thiophenylmethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: acetic acid; 1-[6-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: acetic acid; 1-[6-(3-thenyloxy)-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C17H20F3N3O3S MolecularWeight: 403.41921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CSC=C3

Isomeric SMILES

CC(=O)O.C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)OCC3=CSC=C3

InChI

InChI=1S/C15H16F3N3OS.C2H4O2/c16-15(17,18)12-1-2-13(21-6-4-19-5-7-21)20-14(12)22-9-11-3-8-23-10-11;1-2(3)4/h1-3,8,10,19H,4-7,9H2;1H3,(H,3,4)