1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 1-(5-chloro-2-thienyl)-3-mercapto-2-pyridin-1-ium-1-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C19H13ClF3N2OS2+ MolecularWeight: 441.89753

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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=C(S3)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC(=C2)C(F)(F)F)S)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H12ClF3N2OS2/c20-15-8-7-14(28-15)17(26)16(25-9-2-1-3-10-25)18(27)24-13-6-4-5-12(11-13)19(21,22)23/h1-11H,(H-,24,26,27)/p+1