2-(1,3-benzothiazol-2-ylsulfanylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)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)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H10N2O2S2/c19-14-10-5-1-2-6-11(10)15(20)18(14)9-21-16-17-12-7-3-4-8-13(12)22-16/h1-8H,9H2