5-(1H-benzimidazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione

Systemtic Name: 5-(1H-benzimidazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Openeye Name: 5-(1H-benzimidazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindoline-1,3-dione CAS Name: 5-(1H-benzimidazol-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindole-1,3-dione IUPAC Name: 5-(1H-benzimidazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Traditional Name: 5-(1H-benzimidazol-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-1,3-quinone Formula: C27H16N4O4S MolecularWeight: 492.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H16N4O4S/c32-26-21-14-5-16(25-28-23-3-1-2-4-24(23)29-25)15-22(21)27(33)30(26)17-6-10-19(11-7-17)36-20-12-8-18(9-13-20)31(34)35/h1-15H,(H,28,29)