[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H12BrN3O3S MolecularWeight: 406.25378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN3O3S/c1-24-15-12(3-2-8-18-15)16(21)22-9-13-19-20-14(23-13)10-4-6-11(17)7-5-10/h2-8H,9H2,1H3