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

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-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-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O3S/c22-15-10-8-14(9-11-15)19-25-24-18(28-19)13-27-21(26)17-7-4-12-23-20(17)29-16-5-2-1-3-6-16/h1-12H,13H2