(Z)-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-1-phenyl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(methylthio)-1-phenyl-2-propen-1-one IUPAC Name: (Z)-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-1-phenyl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(methylthio)-1-phenyl-prop-2-en-1-one Formula: C16H16NOS2+ MolecularWeight: 302.43434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NOS2/c1-12-7-6-10-17(11-12)14(16(19)20-2)15(18)13-8-4-3-5-9-13/h3-11H,1-2H3/p+1