2-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1,3-benzoxazol-2-ylthio)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1,3-benzoxazol-2-ylthio)butyl]isoindoline-1,3-quinone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H16N2O3S/c22-17-13-7-1-2-8-14(13)18(23)21(17)11-5-6-12-25-19-20-15-9-3-4-10-16(15)24-19/h1-4,7-10H,5-6,11-12H2