3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1H-benzimidazol-2-ylthio)-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1H-benzimidazol-2-ylthio)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C25H17N5O3S2 MolecularWeight: 499.56418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4N3)SC5=NC6=CC=CC=C6N5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4N3)SC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C25H17N5O3S2/c1-33-15-12-10-14(11-13-15)30-22(31)20(34-24-26-16-6-2-3-7-17(16)27-24)21(23(30)32)35-25-28-18-8-4-5-9-19(18)29-25/h2-13H,1H3,(H,26,27)(H,28,29)