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

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-cyclohexyl-pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-cyclohexyl-pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-cyclohexylpyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-cyclohexylpyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-cyclohexyl-3-pyrroline-2,5-quinone Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)SC3=NC4=CC=CC=C4O3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C24H19N3O4S2/c28-21-19(32-23-25-15-10-4-6-12-17(15)30-23)20(22(29)27(21)14-8-2-1-3-9-14)33-24-26-16-11-5-7-13-18(16)31-24/h4-7,10-14H,1-3,8-9H2