3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Openeye Name: 5-(2-allylsulfanyl-3-pyridyl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3,4-oxadiazol-2-one CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-2-one Traditional Name: 5-[2-(allylthio)-3-pyridyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3,4-oxadiazol-2-one Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C2=NN(C(=O)O2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C19H16FN3O4S/c1-2-6-28-18-15(4-3-5-21-18)17-22-23(19(24)27-17)9-12-7-14(20)8-13-10-25-11-26-16(12)13/h2-5,7-8H,1,6,9-11H2