2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one

Systemtic Name: 2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 2-pyridin-1-ium-1-yl-3-sulfanyl-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 3-mercapto-2-(1-pyridin-1-iumyl)-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 2-pyridin-1-ium-1-yl-3-sulfanyl-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 3-mercapto-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C19H14F3N2OS2+ MolecularWeight: 407.45247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC(=C2)C(F)(F)F)S)C(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC(=C2)C(F)(F)F)S)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H13F3N2OS2/c20-19(21,22)13-6-4-7-14(12-13)23-18(26)16(24-9-2-1-3-10-24)17(25)15-8-5-11-27-15/h1-12H,(H-,23,25,26)/p+1