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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H17N3O4S2/c30-23-21(34-25-27-17-10-4-6-12-19(17)32-25)22(35-26-28-18-11-5-7-13-20(18)33-26)24(31)29(23)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2