3-[5-[(6-fluoranylpyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-prop-2-enyl-urea

Systemtic Name: 3-[5-[(6-fluoranylpyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-[5-[(6-fluoro-2-pyridyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-urea CAS Name: 3-[5-[(6-fluoro-2-pyridinyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-methyl-1-prop-2-enylurea IUPAC Name: 3-[5-[(6-fluoropyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-prop-2-enylurea Traditional Name: 1-allyl-3-[5-[(6-fluoro-2-pyridyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-methyl-urea Formula: C13H14FN5OS2 MolecularWeight: 339.411563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C)C(=O)NC1=NN=C(S1)SCC2=NC(=CC=C2)F

Isomeric SMILES

CN(CC=C)C(=O)NC1=NN=C(S1)SCC2=NC(=CC=C2)F

InChI

InChI=1S/C13H14FN5OS2/c1-3-7-19(2)12(20)16-11-17-18-13(22-11)21-8-9-5-4-6-10(14)15-9/h3-6H,1,7-8H2,2H3,(H,16,17,20)