3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloranyl-2-methoxy-phenyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloranyl-2-methoxy-phenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloro-2-methoxy-phenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(5-chloro-2-methoxy-phenyl)-3-pyrroline-2,5-quinone Formula: C25H14ClN3O5S2 MolecularWeight: 535.97876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H14ClN3O5S2/c1-32-19-11-10-13(26)12-16(19)29-22(30)20(35-24-27-14-6-2-4-8-17(14)33-24)21(23(29)31)36-25-28-15-7-3-5-9-18(15)34-25/h2-12H,1H3