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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]cinchoninamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS2/c1-4-28-22-26-25-21(29-22)24-20(27)17-12-19(15-10-9-13(2)14(3)11-15)23-18-8-6-5-7-16(17)18/h5-12H,4H2,1-3H3,(H,24,25,27)