2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C15H14ClN2S+ MolecularWeight: 289.80306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2S/c1-10-7-11(2)18-15(14(10)8-17)19-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3/p+1