2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 2-phenyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-phenyl-cinchoninamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4OS2/c1-2-12-27-21-25-24-20(28-21)23-19(26)16-13-18(14-8-4-3-5-9-14)22-17-11-7-6-10-15(16)17/h2-11,13H,1,12H2,(H,23,24,26)