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

Systemtic Name: 1-(4-methoxyphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-methoxyphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-(4-methoxyphenyl)-3-(methylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-methoxyphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-1-(4-methoxyphenyl)-3-(methylthio)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C16H16NO2S2+ MolecularWeight: 318.43374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(S)SC)[N+]2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(=C(S)SC)[N+]2=CC=CC=C2

InChI

InChI=1S/C16H15NO2S2/c1-19-13-8-6-12(7-9-13)15(18)14(16(20)21-2)17-10-4-3-5-11-17/h3-11H,1-2H3/p+1