3-fluoranyl-4-methoxy-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: 3-fluoro-4-methoxy-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methoxy-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: N-[5-[[(E)-cinnamyl]thio]-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C18H16FN3O3S3 MolecularWeight: 437.531343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC=CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SC/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C18H16FN3O3S3/c1-25-16-10-9-14(12-15(16)19)28(23,24)22-17-20-21-18(27-17)26-11-5-8-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,22)/b8-5+