N-(3-imidazol-1-ylpropyl)-2-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]ethanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]ethanamide Openeye Name: 2-[5-(2-allylsulfanyl-3-pyridyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[2-oxo-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-3-yl]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[2-oxo-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]acetamide Traditional Name: 2-[5-[2-(allylthio)-3-pyridyl]-2-keto-1,3,4-oxadiazol-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC(=O)NCCCN3C=CN=C3

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C18H20N6O3S/c1-2-11-28-17-14(5-3-6-21-17)16-22-24(18(26)27-16)12-15(25)20-7-4-9-23-10-8-19-13-23/h2-3,5-6,8,10,13H,1,4,7,9,11-12H2,(H,20,25)