3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-(methylthio)-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-3-(methylthio)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C15H13N2O3S2+ MolecularWeight: 333.40532

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC=CC=C2)S

Isomeric SMILES

CSC(=C(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])[N+]2=CC=CC=C2)S

InChI

InChI=1S/C15H12N2O3S2/c1-22-15(21)13(16-9-3-2-4-10-16)14(18)11-5-7-12(8-6-11)17(19)20/h2-10H,1H3/p+1