tert-butyl 2-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-[5-[(4-bromophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[5-[(4-bromobenzyl)thio]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-18(2,3)25-17(23)22-10-4-5-14(22)15-20-21-16(24-15)26-11-12-6-8-13(19)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3