1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrole-2,5-dione

Systemtic Name: 1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrole-2,5-dione Openeye Name: 1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrole-2,5-dione CAS Name: 1-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrole-2,5-dione IUPAC Name: 1-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrole-2,5-dione Traditional Name: 1-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-pyrroline-2,5-quinone Formula: C12H8N2O2S2 MolecularWeight: 276.33412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C=CC3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C=CC3=O

InChI

InChI=1S/C12H8N2O2S2/c1-17-12-13-8-3-2-7(6-9(8)18-12)14-10(15)4-5-11(14)16/h2-6H,1H3