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

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-methylphenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(3-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C25H15N3O4S2 MolecularWeight: 485.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15N3O4S2/c1-14-7-6-8-15(13-14)28-22(29)20(33-24-26-16-9-2-4-11-18(16)31-24)21(23(28)30)34-25-27-17-10-3-5-12-19(17)32-25/h2-13H,1H3