4-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione

Systemtic Name: 4-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione Openeye Name: 4-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindoline-1,3-dione CAS Name: 4-[5-(1,3-benzoxazol-2-ylthio)pentyl]isoindole-1,3-dione IUPAC Name: 4-[5-(1,3-benzoxazol-2-ylsulfanyl)pentyl]isoindole-1,3-dione Traditional Name: 4-[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)N=C(O2)SCCCCCC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCCCC3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C20H18N2O3S/c23-18-14-9-6-8-13(17(14)19(24)22-18)7-2-1-5-12-26-20-21-15-10-3-4-11-16(15)25-20/h3-4,6,8-11H,1-2,5,7,12H2,(H,22,23,24)