3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-chloranyl-4-methyl-phenyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-chloranyl-4-methyl-phenyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-chloro-4-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3,4-bis(1,3-benzoxazol-2-ylsulfanyl)-1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1,3-benzoxazol-2-ylthio)-1-(3-chloro-4-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C25H14ClN3O4S2 MolecularWeight: 519.97936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H14ClN3O4S2/c1-13-10-11-14(12-15(13)26)29-22(30)20(34-24-27-16-6-2-4-8-18(16)32-24)21(23(29)31)35-25-28-17-7-3-5-9-19(17)33-25/h2-12H,1H3