2-methyl-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-thiopyran-3-carbonitrile

Systemtic Name: 2-methyl-4-oxidanylidene-5-pyridin-1-ium-1-yl-6-sulfanyl-thiopyran-3-carbonitrile Openeye Name: 2-methyl-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanyl-thiopyran-3-carbonitrile CAS Name: 6-mercapto-2-methyl-4-oxo-5-(1-pyridin-1-iumyl)-3-thiopyrancarbonitrile IUPAC Name: 2-methyl-4-oxo-5-pyridin-1-ium-1-yl-6-sulfanylthiopyran-3-carbonitrile Traditional Name: 4-keto-6-mercapto-2-methyl-5-pyridin-1-ium-1-yl-thiopyran-3-carbonitrile Formula: C12H9N2OS2+ MolecularWeight: 261.34266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(S1)S)[N+]2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=O)C(=C(S1)S)[N+]2=CC=CC=C2)C#N

InChI

InChI=1S/C12H8N2OS2/c1-8-9(7-13)11(15)10(12(16)17-8)14-5-3-2-4-6-14/h2-6H,1H3/p+1