4-butyl-5-(1,3-thiazol-2-ylsulfanyl)isoindole-1,3-dione

Systemtic Name: 4-butyl-5-(1,3-thiazol-2-ylsulfanyl)isoindole-1,3-dione Openeye Name: 4-butyl-5-thiazol-2-ylsulfanyl-isoindoline-1,3-dione CAS Name: 4-butyl-5-(2-thiazolylthio)isoindole-1,3-dione IUPAC Name: 4-butyl-5-(1,3-thiazol-2-ylsulfanyl)isoindole-1,3-dione Traditional Name: 4-butyl-5-(thiazol-2-ylthio)isoindoline-1,3-quinone Formula: C15H14N2O2S2 MolecularWeight: 318.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)SC3=NC=CS3

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)SC3=NC=CS3

InChI

InChI=1S/C15H14N2O2S2/c1-2-3-4-9-11(21-15-16-7-8-20-15)6-5-10-12(9)14(19)17-13(10)18/h5-8H,2-4H2,1H3,(H,17,18,19)