(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(5-bromo-2-pyridyl)sulfanyl]benzoate CAS Name: 2-[(5-bromo-2-pyridinyl)thio]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(5-bromopyridin-2-yl)sulfanylbenzoate Traditional Name: 2-[(5-bromo-2-pyridyl)thio]benzoic acid (5-phenyl-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)C2=NN=C(O2)COC(=O)C3=CC=CC=C3SC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=CC=C3SC4=NC=C(C=C4)Br

InChI

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