(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C13H11BrFN3OS2 MolecularWeight: 388.278343

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H11BrFN3OS2/c1-2-20-13-18-17-12(21-13)16-11(19)6-3-8-7-9(14)4-5-10(8)15/h3-7H,2H2,1H3,(H,16,17,19)/b6-3+