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

Systemtic Name: 2-[3-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[5-(2-allylsulfanyl-3-pyridyl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-oxo-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-oxo-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[5-[2-(allylthio)-3-pyridyl]-2-keto-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-quinone Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O4S/c1-2-13-30-18-16(9-5-10-22-18)17-23-25(21(28)29-17)12-6-11-24-19(26)14-7-3-4-8-15(14)20(24)27/h2-5,7-10H,1,6,11-13H2