4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC#CCSC1=NN=C(O1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)OCC#CCSC1=NN=C(O1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN2O3S/c1-17(2,3)15(21)22-10-4-5-11-24-16-20-19-14(23-16)12-6-8-13(18)9-7-12/h6-9H,10-11H2,1-3H3