3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-2-nitro-phenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-2-nitro-phenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-2-nitro-phenyl)pyrrolidine-2,5-dione CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-methyl-2-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-methyl-2-nitro-phenyl)pyrrolidine-2,5-quinone Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c1-10-6-7-12(13(8-10)21(24)25)20-16(22)9-15(17(20)23)27-18-19-11-4-2-3-5-14(11)26-18/h2-8,15H,9H2,1H3