2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-methyl-6-(trifluoromethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-methyl-6-(trifluoromethyl)pyridin-1-ium-3-carbonitrile Formula: C15H11ClF3N2S+ MolecularWeight: 343.77445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC2=CC=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC2=CC=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H10ClF3N2S/c1-9-6-13(15(17,18)19)21-14(12(9)7-20)22-8-10-2-4-11(16)5-3-10/h2-6H,8H2,1H3/p+1