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

Systemtic Name: 2-[1,3-benzothiazol-2-yl(sulfanyl)methyl]isoindole-1,3-dione Openeye Name: 2-[1,3-benzothiazol-2-yl(sulfanyl)methyl]isoindoline-1,3-dione CAS Name: 2-[1,3-benzothiazol-2-yl(mercapto)methyl]isoindole-1,3-dione IUPAC Name: 2-[1,3-benzothiazol-2-yl(sulfanyl)methyl]isoindole-1,3-dione Traditional Name: 2-[1,3-benzothiazol-2-yl(mercapto)methyl]isoindoline-1,3-quinone Formula: C16H10N2O2S2 MolecularWeight: 326.3928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(C3=NC4=CC=CC=C4S3)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(C3=NC4=CC=CC=C4S3)S

InChI

InChI=1S/C16H10N2O2S2/c19-14-9-5-1-2-6-10(9)15(20)18(14)16(21)13-17-11-7-3-4-8-12(11)22-13/h1-8,16,21H