4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

Systemtic Name: 4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one Openeye Name: 4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-oxazol-5-one CAS Name: 4-[(1H-benzimidazol-2-ylthio)-(4-nitrophenyl)methyl]-2-phenyl-4H-oxazol-5-one IUPAC Name: 4-[1H-benzimidazol-2-ylsulfanyl-(4-nitrophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one Traditional Name: 4-[(1H-benzimidazol-2-ylthio)-(4-nitrophenyl)methyl]-2-phenyl-2-oxazolin-5-one Formula: C23H16N4O4S MolecularWeight: 444.46254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H16N4O4S/c28-22-19(26-21(31-22)15-6-2-1-3-7-15)20(14-10-12-16(13-11-14)27(29)30)32-23-24-17-8-4-5-9-18(17)25-23/h1-13,19-20H,(H,24,25)