1-[(E)-3-(2-chloranyl-4-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-pyridin-1-ium-3-olate

Systemtic Name: 1-[(E)-3-(2-chloranyl-4-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-pyridin-1-ium-3-olate Openeye Name: 1-[(E)-3-(2-chloro-4-nitro-phenyl)-3-oxo-prop-1-enyl]-2-methylsulfanyl-pyridin-1-ium-3-olate CAS Name: 1-[(E)-3-(2-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]-2-(methylthio)-3-pyridin-1-iumolate IUPAC Name: 1-[(E)-3-(2-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]-2-methylsulfanylpyridin-1-ium-3-olate Traditional Name: 1-[(E)-3-(2-chloro-4-nitro-phenyl)-3-keto-prop-1-enyl]-2-(methylthio)pyridin-1-ium-3-olate Formula: C15H11ClN2O4S MolecularWeight: 350.77684

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O4S/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/b8-6+