2-[4-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[5-(2-allylsulfanyl-3-pyridyl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-oxo-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-oxo-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[5-[2-(allylthio)-3-pyridyl]-2-keto-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-quinone Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N4O4S/c1-2-14-31-19-17(10-7-11-23-19)18-24-26(22(29)30-18)13-6-5-12-25-20(27)15-8-3-4-9-16(15)21(25)28/h2-4,7-11H,1,12-14H2