2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2,4-dimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2,4-dimethylbenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C24H18N2O2S2 MolecularWeight: 430.54192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C24H18N2O2S2/c1-14-7-8-16(15(2)11-14)13-29-24-25-20-10-9-17(12-21(20)30-24)26-22(27)18-5-3-4-6-19(18)23(26)28/h3-12H,13H2,1-2H3