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

Systemtic Name: 2-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2,4,6-trimethylbenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S2/c1-14-10-15(2)20(16(3)11-14)13-30-25-26-21-9-8-17(12-22(21)31-25)27-23(28)18-6-4-5-7-19(18)24(27)29/h4-12H,13H2,1-3H3