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

Systemtic Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide Openeye Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide CAS Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-4-quinolinecarboxamide IUPAC Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-4-carboxamide Traditional Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]cinchoninamide Formula: C19H13N5O4S MolecularWeight: 407.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C19H13N5O4S/c20-18(25)14-9-17(21-15-4-2-1-3-13(14)15)29-10-16-22-23-19(28-16)11-5-7-12(8-6-11)24(26)27/h1-9H,10H2,(H2,20,25)