5-methyl-3-(phenylcarbonyl)-2-sulfanylidene-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one

Systemtic Name: 5-methyl-3-(phenylcarbonyl)-2-sulfanylidene-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one Openeye Name: 3-benzoyl-5-methyl-2-thioxo-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one CAS Name: 3-benzoyl-5-methyl-2-sulfanylidene-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one IUPAC Name: 3-benzoyl-5-methyl-2-sulfanylidene-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one Traditional Name: 3-benzoyl-5-methyl-2-thioxo-1H-[1,2,4]triazino[1,6-a]benzimidazol-5-ium-4-one Formula: C17H13N4O2S+ MolecularWeight: 337.37572

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=O)N(C(=S)NN2C3=CC=CC=C31)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=C2C(=O)N(C(=S)NN2C3=CC=CC=C31)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H12N4O2S/c1-19-12-9-5-6-10-13(12)21-14(19)16(23)20(17(24)18-21)15(22)11-7-3-2-4-8-11/h2-10H,1H3/p+1