1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethylsulfanyl)pyrrolidine-2,5-dione

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethylsulfanyl)pyrrolidine-2,5-dione Openeye Name: 3-benzylsulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethylthio)pyrrolidine-2,5-dione IUPAC Name: 3-benzylsulfanyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione Traditional Name: 3-(benzylthio)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-quinone Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)SCC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2S2/c1-16-7-12-20-21(13-16)31-24(26-20)18-8-10-19(11-9-18)27-23(28)14-22(25(27)29)30-15-17-5-3-2-4-6-17/h2-13,22H,14-15H2,1H3