2-[(E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-mercapto-3-(methylthio)-2-(1-pyridin-1-iumyl)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-mercapto-3-(methylthio)-2-pyridin-1-ium-1-yl-prop-2-enylidene]malononitrile Formula: C12H10N3S2+ MolecularWeight: 260.3579

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C=C(C#N)C#N)[N+]1=CC=CC=C1)S

Isomeric SMILES

CS/C(=C(\C=C(C#N)C#N)/[N+]1=CC=CC=C1)/S

InChI

InChI=1S/C12H9N3S2/c1-17-12(16)11(7-10(8-13)9-14)15-5-3-2-4-6-15/h2-7H,1H3/p+1/b12-11+