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

Systemtic Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Openeye Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 4-[3-(1,3-benzoxazol-2-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]isoindole-1,3-dione Traditional Name: 4-[3-(1,3-benzoxazol-2-ylthio)propyl]isoindoline-1,3-quinone Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCCC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCC3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C18H14N2O3S/c21-16-12-7-3-5-11(15(12)17(22)20-16)6-4-10-24-18-19-13-8-1-2-9-14(13)23-18/h1-3,5,7-9H,4,6,10H2,(H,20,21,22)