3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-thiopyran-4-olate

Systemtic Name: 3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-thiopyran-4-olate Openeye Name: 3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-thioxo-thiopyran-4-olate CAS Name: 3-cyano-2-methyl-5-(1-pyridin-1-iumyl)-6-sulfanylidene-4-thiopyranolate IUPAC Name: 3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidenethiopyran-4-olate Traditional Name: 3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-thioxo-thiopyran-4-olate Formula: C12H8N2OS2 MolecularWeight: 260.33472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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