2-(3-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-3,3-bis(methylthio)-1-phenyl-2-propen-1-one IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)-3,3-bis(methylthio)-1-phenyl-prop-2-en-1-one Formula: C17H18NOS2+ MolecularWeight: 316.46092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18NOS2/c1-13-8-7-11-18(12-13)15(17(20-2)21-3)16(19)14-9-5-4-6-10-14/h4-12H,1-3H3/q+1