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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(o-tolyl)cinchoninamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C

InChI

InChI=1S/C21H18N4OS2/c1-3-27-21-25-24-20(28-21)23-19(26)16-12-18(14-9-5-4-8-13(14)2)22-17-11-7-6-10-15(16)17/h4-12H,3H2,1-2H3,(H,23,24,26)