2-(3-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-8-methyl-cinchoninamide Formula: C21H17BrN4OS2 MolecularWeight: 485.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC(=CC=C4)Br

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN4OS2/c1-3-28-21-26-25-20(29-21)24-19(27)16-11-17(13-7-5-8-14(22)10-13)23-18-12(2)6-4-9-15(16)18/h4-11H,3H2,1-2H3,(H,24,25,27)