methyl 6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate

Systemtic Name: methyl 6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate Openeye Name: methyl 6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate CAS Name: 6-[(3-nitrophenyl)methylthio]-3-benzimidazolo[1,2-c]quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate Traditional Name: 6-[(3-nitrobenzyl)thio]benzimidazolo[1,2-c]quinazoline-3-carboxylic acid methyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O4S/c1-31-22(28)15-9-10-17-19(12-15)25-23(26-20-8-3-2-7-18(20)24-21(17)26)32-13-14-5-4-6-16(11-14)27(29)30/h2-12H,13H2,1H3