2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C23H18F3N2OS+ MolecularWeight: 427.46203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C3=CC=CC=C3)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C3=CC=CC=C3)C(F)(F)F)C#N)C

InChI

InChI=1S/C23H17F3N2OS/c1-14-8-9-17(15(2)10-14)21(29)13-30-22-18(12-27)19(23(24,25)26)11-20(28-22)16-6-4-3-5-7-16/h3-11H,13H2,1-2H3/p+1