2-(3,5-dinitrophenyl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-dinitrophenyl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(3,5-dinitrophenyl)-5-(8-quinolylsulfanylmethyl)-1,3,4-oxadiazole CAS Name: 2-(3,5-dinitrophenyl)-5-[(8-quinolinylthio)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dinitrophenyl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole Traditional Name: 2-(3,5-dinitrophenyl)-5-[(8-quinolylthio)methyl]-1,3,4-oxadiazole Formula: C18H11N5O5S MolecularWeight: 409.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC3=NN=C(O3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC3=NN=C(O3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H11N5O5S/c24-22(25)13-7-12(8-14(9-13)23(26)27)18-21-20-16(28-18)10-29-15-5-1-3-11-4-2-6-19-17(11)15/h1-9H,10H2