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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br

InChI

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