2-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(1,3-benzoxazol-2-ylthio)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(1,3-benzoxazol-2-ylthio)pentyl]isoindoline-1,3-quinone Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O3S/c23-18-14-8-2-3-9-15(14)19(24)22(18)12-6-1-7-13-26-20-21-16-10-4-5-11-17(16)25-20/h2-5,8-11H,1,6-7,12-13H2