3-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-bromanyl-4-methyl-phenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-bromanyl-4-methyl-phenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-bromo-4-methyl-phenyl)pyrrolidine-2,5-dione CAS Name: 3-(1,3-benzoxazol-2-ylthio)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-1-(2-bromo-4-methyl-phenyl)pyrrolidine-2,5-quinone Formula: C18H13BrN2O3S MolecularWeight: 417.27642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C18H13BrN2O3S/c1-10-6-7-13(11(19)8-10)21-16(22)9-15(17(21)23)25-18-20-12-4-2-3-5-14(12)24-18/h2-8,15H,9H2,1H3