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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H15N3O4S2/c29-22-20(33-24-26-16-10-4-6-12-18(16)31-24)21(23(30)28(22)14-15-8-2-1-3-9-15)34-25-27-17-11-5-7-13-19(17)32-25/h1-13H,14H2