2-(2-butylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-butylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Openeye Name: 2-(2-butylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 2-[2-(butylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-(2-butylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 2-[2-(butylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H16N2O2S2/c1-2-3-10-24-19-20-15-9-8-12(11-16(15)25-19)21-17(22)13-6-4-5-7-14(13)18(21)23/h4-9,11H,2-3,10H2,1H3