ethyl 2-(4-nitrophenyl)-1-sulfanylidene-pyrimido[1,6-a]benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-(4-nitrophenyl)-1-sulfanylidene-pyrimido[1,6-a]benzimidazole-4-carboxylate Openeye Name: ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate CAS Name: 2-(4-nitrophenyl)-1-sulfanylidene-4-pyrimido[1,6-a]benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)-1-sulfanylidenepyrimido[1,6-a]benzimidazole-4-carboxylate Traditional Name: 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S/c1-2-27-18(24)14-11-21(12-7-9-13(10-8-12)23(25)26)19(28)22-16-6-4-3-5-15(16)20-17(14)22/h3-11H,2H2,1H3