2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]methyl]isoindoline-1,3-quinone Formula: C17H12N2O2S2 MolecularWeight: 340.41938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H12N2O2S2/c1-22-17-18-13-7-6-10(8-14(13)23-17)9-19-15(20)11-4-2-3-5-12(11)16(19)21/h2-8H,9H2,1H3