3-[(4-methylsulfonylphenyl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(4-methylsulfonylphenyl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Openeye Name: 5-(2-allylsulfanyl-3-pyridyl)-3-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-one CAS Name: 3-[(4-methylsulfonylphenyl)methyl]-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(4-methylsulfonylphenyl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Traditional Name: 5-[2-(allylthio)-3-pyridyl]-3-(4-mesylbenzyl)-1,3,4-oxadiazol-2-one Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)OC(=N2)C3=C(N=CC=C3)SCC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=O)OC(=N2)C3=C(N=CC=C3)SCC=C

InChI

InChI=1S/C18H17N3O4S2/c1-3-11-26-17-15(5-4-10-19-17)16-20-21(18(22)25-16)12-13-6-8-14(9-7-13)27(2,23)24/h3-10H,1,11-12H2,2H3