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

Systemtic Name: 1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,4-dimethylphenyl)-3-mercapto-3-(methylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,4-dimethylphenyl)-3-mercapto-3-(methylthio)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H18NOS2+ MolecularWeight: 316.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C(=C(S)SC)[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C(=C(S)SC)[N+]2=CC=CC=C2)C

InChI

InChI=1S/C17H17NOS2/c1-12-7-8-14(13(2)11-12)16(19)15(17(20)21-3)18-9-5-4-6-10-18/h4-11H,1-3H3/p+1