5-methyl-1-oxidanylidene-3-sulfanylidene-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile

Systemtic Name: 5-methyl-1-oxidanylidene-3-sulfanylidene-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Openeye Name: 5-methyl-1-oxo-3-thioxo-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile CAS Name: 5-methyl-1-oxo-3-sulfanylidene-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile IUPAC Name: 5-methyl-1-oxo-3-sulfanylidene-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Traditional Name: 1-keto-5-methyl-3-thioxo-4H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Formula: C12H9N4OS+ MolecularWeight: 257.29106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(C(=S)NC(=O)N2C3=CC=CC=C31)C#N

Isomeric SMILES

C[N+]1=C2C(C(=S)NC(=O)N2C3=CC=CC=C31)C#N

InChI

InChI=1S/C12H8N4OS/c1-15-8-4-2-3-5-9(8)16-11(15)7(6-13)10(18)14-12(16)17/h2-5,7H,1H3/p+1