(E)-1-(4-chlorophenyl)-3-(2-methylsulfanyl-3-oxidanyl-pyridin-1-ium-1-yl)prop-2-en-1-one chloride

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(2-methylsulfanyl-3-oxidanyl-pyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxy-2-methylsulfanyl-pyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-(4-chlorophenyl)-3-[3-hydroxy-2-(methylthio)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxy-2-methylsulfanylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-(4-chlorophenyl)-3-[3-hydroxy-2-(methylthio)pyridin-1-ium-1-yl]prop-2-en-1-one chloride Formula: C15H13Cl2NO2S MolecularWeight: 342.24022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=[N+]1C=CC(=O)C2=CC=C(C=C2)Cl)O.[Cl-]

Isomeric SMILES

CSC1=C(C=CC=[N+]1/C=C/C(=O)C2=CC=C(C=C2)Cl)O.[Cl-]

InChI

InChI=1S/C15H12ClNO2S.ClH/c1-20-15-14(19)3-2-9-17(15)10-8-13(18)11-4-6-12(16)7-5-11;/h2-10H,1H3;1H/b10-8+;