2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C26H16N2O2S2 MolecularWeight: 452.54744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H16N2O2S2/c29-24-20-10-3-4-11-21(20)25(30)28(24)18-12-13-22-23(14-18)32-26(27-22)31-15-17-8-5-7-16-6-1-2-9-19(16)17/h1-14H,15H2