2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinoline-4-carboxamide

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinoline-4-carboxamide Openeye Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]quinoline-4-carboxamide CAS Name: 2-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-4-quinolinecarboxamide IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinoline-4-carboxamide Traditional Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]cinchoninamide Formula: C20H14ClN3O2S MolecularWeight: 395.86206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=CC(=NO3)C4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C20H14ClN3O2S/c21-13-7-5-12(6-8-13)18-9-14(26-24-18)11-27-19-10-16(20(22)25)15-3-1-2-4-17(15)23-19/h1-10H,11H2,(H2,22,25)