N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-isopropyl-quinoline-4-carboxamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-isopropyl-cinchoninamide Formula: C22H19FN4OS2 MolecularWeight: 438.540863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4OS2/c1-13(2)19-11-17(16-5-3-4-6-18(16)24-19)20(28)25-21-26-27-22(30-21)29-12-14-7-9-15(23)10-8-14/h3-11,13H,12H2,1-2H3,(H,25,26,28)