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

Systemtic Name: (E)-1-(2-chloranyl-4-nitro-phenyl)-3-(2-methylsulfanyl-3-oxidanyl-pyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-(2-chloro-4-nitro-phenyl)-3-(3-hydroxy-2-methylsulfanyl-pyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-(2-chloro-4-nitrophenyl)-3-[3-hydroxy-2-(methylthio)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-1-(2-chloro-4-nitrophenyl)-3-(3-hydroxy-2-methylsulfanylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-(2-chloro-4-nitro-phenyl)-3-[3-hydroxy-2-(methylthio)pyridin-1-ium-1-yl]prop-2-en-1-one chloride Formula: C15H12Cl2N2O4S MolecularWeight: 387.23778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O4S.ClH/c1-23-15-14(20)3-2-7-17(15)8-6-13(19)11-5-4-10(18(21)22)9-12(11)16;/h2-9H,1H3;1H/b8-6+;