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

Systemtic Name: 2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-(p-tolylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-methylphenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-methylbenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H16N2O2S2 MolecularWeight: 416.51534

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O2S2/c1-14-6-8-15(9-7-14)13-28-23-24-19-11-10-16(12-20(19)29-23)25-21(26)17-4-2-3-5-18(17)22(25)27/h2-12H,13H2,1H3