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

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(2-methylsulfanyl-3-oxidanyl-pyridin-1-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxy-2-methylsulfanyl-pyridin-1-ium-1-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-[3-hydroxy-2-(methylthio)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxy-2-methylsulfanylpyridin-1-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-[3-hydroxy-2-(methylthio)pyridin-1-ium-1-yl]prop-2-en-1-one Formula: C15H13ClNO2S+ MolecularWeight: 306.78722

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO2S/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/p+1/b10-8+