3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-nitrophenyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-nitrophenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(3-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(3-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C24H12N4O6S2 MolecularWeight: 516.50528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])SC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C24H12N4O6S2/c29-21-19(35-23-25-15-8-1-3-10-17(15)33-23)20(36-24-26-16-9-2-4-11-18(16)34-24)22(30)27(21)13-6-5-7-14(12-13)28(31)32/h1-12H