[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H12BrN3O5S MolecularWeight: 450.26328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)CSC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)COC(=O)CSC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrN3O5S/c18-12-3-7-14(8-4-12)27-10-16(22)25-9-15-19-20-17(26-15)11-1-5-13(6-2-11)21(23)24/h1-8H,9-10H2