3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Openeye Name: 5-(2-allylsulfanyl-3-pyridyl)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-one CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Traditional Name: 5-[2-(allylthio)-3-pyridyl]-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-one Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C18H14ClN3O4S/c1-2-6-27-17-12(4-3-5-20-17)16-21-22(18(23)26-16)9-11-7-14-15(8-13(11)19)25-10-24-14/h2-5,7-8H,1,6,9-10H2