(Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(2,4-dimethylphenyl)-3-(methylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-1-(2,4-dimethylphenyl)-3-(methylthio)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H17NOS2 MolecularWeight: 315.45298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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