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

Systemtic Name: N-(1-ethynylcyclohexyl)-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-(1-ethynylcyclohexyl)acetamide CAS Name: N-(1-ethynylcyclohexyl)-2-[2-oxo-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-3-yl]acetamide IUPAC Name: N-(1-ethynylcyclohexyl)-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-(1-ethynylcyclohexyl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC(=O)NC3(CCCCC3)C#C

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC(=O)NC3(CCCCC3)C#C

InChI

InChI=1S/C20H22N4O3S/c1-3-13-28-18-15(9-8-12-21-18)17-23-24(19(26)27-17)14-16(25)22-20(4-2)10-6-5-7-11-20/h2-3,8-9,12H,1,5-7,10-11,13-14H2,(H,22,25)