1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C23H20F3N2OS+ MolecularWeight: 429.47791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC(=C2)C(F)(F)F)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC(=C2)C(F)(F)F)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C23H19F3N2OS/c1-15-9-10-17(13-16(15)2)21(29)20(28-11-4-3-5-12-28)22(30)27-19-8-6-7-18(14-19)23(24,25)26/h3-14H,1-2H3,(H-,27,29,30)/p+1