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

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(2,3-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C26H17N3O4S2 MolecularWeight: 499.56088

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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=C4O3)SC5=NC6=CC=CC=C6O5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5)C

InChI

InChI=1S/C26H17N3O4S2/c1-14-8-7-11-18(15(14)2)29-23(30)21(34-25-27-16-9-3-5-12-19(16)32-25)22(24(29)31)35-26-28-17-10-4-6-13-20(17)33-26/h3-13H,1-2H3