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

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methyl-cinchoninamide Formula: C20H15FN4OS2 MolecularWeight: 410.487703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN4OS2/c1-12-10-16(15-4-2-3-5-17(15)22-12)18(26)23-19-24-25-20(28-19)27-11-13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,23,24,26)