2-(3-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-quinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-cinchoninamide Formula: C21H17ClN4OS2 MolecularWeight: 440.96888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4OS2/c1-3-28-21-26-25-20(29-21)24-19(27)17-12(2)18(13-7-6-8-14(22)11-13)23-16-10-5-4-9-15(16)17/h4-11H,3H2,1-2H3,(H,24,25,27)