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

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)cinchoninamide Formula: C23H15FN4OS3 MolecularWeight: 478.584803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C23H15FN4OS3/c24-15-9-7-14(8-10-15)13-31-23-28-27-22(32-23)26-21(29)17-12-19(20-6-3-11-30-20)25-18-5-2-1-4-16(17)18/h1-12H,13H2,(H,26,27,29)