N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]cinchoninamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c28-21(23-14-7-8-14)17-11-20(24-18-4-2-1-3-16(17)18)32-12-19-25-26-22(31-19)13-5-9-15(10-6-13)27(29)30/h1-6,9-11,14H,7-8,12H2,(H,23,28)