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

Systemtic Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1H-benzimidazol-2-ylthio)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1H-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1H-benzimidazol-2-ylthio)-1-(2,3-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C26H19N5O2S2 MolecularWeight: 497.59136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4N3)SC5=NC6=CC=CC=C6N5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4N3)SC5=NC6=CC=CC=C6N5)C

InChI

InChI=1S/C26H19N5O2S2/c1-14-8-7-13-20(15(14)2)31-23(32)21(34-25-27-16-9-3-4-10-17(16)28-25)22(24(31)33)35-26-29-18-11-5-6-12-19(18)30-26/h3-13H,1-2H3,(H,27,28)(H,29,30)