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

Systemtic Name: 5-(1,3-benzoxazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Openeye Name: 5-(1,3-benzoxazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindoline-1,3-dione CAS Name: 5-(1,3-benzoxazol-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindole-1,3-dione IUPAC Name: 5-(1,3-benzoxazol-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Traditional Name: 5-(1,3-benzoxazol-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-1,3-quinone Formula: C27H15N3O5S MolecularWeight: 493.4901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)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)N=C(O2)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/C27H15N3O5S/c31-26-21-14-5-16(25-28-23-3-1-2-4-24(23)35-25)15-22(21)27(32)29(26)17-6-10-19(11-7-17)36-20-12-8-18(9-13-20)30(33)34/h1-15H