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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)cinchoninamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S2/c1-3-28-21-25-24-20(29-21)23-19(26)16-12-18(13-8-10-14(27-2)11-9-13)22-17-7-5-4-6-15(16)17/h4-12H,3H2,1-2H3,(H,23,24,26)