ethyl 2-[(4-cyano-5-methyl-1-oxidanylidene-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-cyano-5-methyl-1-oxidanylidene-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-cyano-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(4-cyano-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-1-keto-5-methyl-2H-pyrimido[1,6-a]benzimidazol-5-ium-3-yl)thio]acetic acid ethyl ester Formula: C16H15N4O3S+ MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2=[N+](C3=CC=CC=C3N2C(=O)N1)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C2=[N+](C3=CC=CC=C3N2C(=O)N1)C)C#N

InChI

InChI=1S/C16H14N4O3S/c1-3-23-13(21)9-24-14-10(8-17)15-19(2)11-6-4-5-7-12(11)20(15)16(22)18-14/h4-7H,3,9H2,1-2H3/p+1