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

Systemtic Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Openeye Name: 5-(2-allylsulfanyl-3-pyridyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-one CAS Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(3,5-dimethoxyphenyl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Traditional Name: 5-[2-(allylthio)-3-pyridyl]-3-(3,5-dimethoxybenzyl)-1,3,4-oxadiazol-2-one Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=O)OC(=N2)C3=C(N=CC=C3)SCC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=O)OC(=N2)C3=C(N=CC=C3)SCC=C)OC

InChI

InChI=1S/C19H19N3O4S/c1-4-8-27-18-16(6-5-7-20-18)17-21-22(19(23)26-17)12-13-9-14(24-2)11-15(10-13)25-3/h4-7,9-11H,1,8,12H2,2-3H3