(1E)-4,4-dicyano-1-methylsulfanyl-2-pyridin-1-ium-1-yl-buta-1,3-diene-1-thiolate

Systemtic Name: (1E)-4,4-dicyano-1-methylsulfanyl-2-pyridin-1-ium-1-yl-buta-1,3-diene-1-thiolate Openeye Name: (1E)-4,4-dicyano-1-methylsulfanyl-2-pyridin-1-ium-1-yl-buta-1,3-diene-1-thiolate CAS Name: (1E)-4,4-dicyano-1-(methylthio)-2-(1-pyridin-1-iumyl)-1-buta-1,3-dienethiolate IUPAC Name: (1E)-4,4-dicyano-1-methylsulfanyl-2-pyridin-1-ium-1-ylbuta-1,3-diene-1-thiolate Traditional Name: (1E)-4,4-dicyano-1-(methylthio)-2-pyridin-1-ium-1-yl-buta-1,3-diene-1-thiolate Formula: C12H9N3S2 MolecularWeight: 259.34996

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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/b12-11+