2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenyl-prop-2-en-1-one CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3,3-bis(methylthio)-1-phenyl-2-propen-1-one IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylsulfanyl)-1-phenylprop-2-en-1-one Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3,3-bis(methylthio)-1-phenyl-prop-2-en-1-one Formula: C18H20NOS2+ MolecularWeight: 330.4875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NOS2/c1-13-10-14(2)12-19(11-13)16(18(21-3)22-4)17(20)15-8-6-5-7-9-15/h5-12H,1-4H3/q+1