4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (Q27165003)

CHEMBL1271429 (English)

9 October 2016

chemical formula

C₂₃H₁₅BrN₂O₃S

1 reference

CHEMBL1271429 (English)

9 October 2016

canonical SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)Br

1 reference

CHEMBL1271429 (English)

InChI=1S/C23H15BrN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2

9 October 2016

Identifiers

InChI

1 reference

CHEMBL1271429 (English)

XTSDILRLMBNWMK-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL1271429 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{[5-(1-Naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-2-butyn-1-yl 4-bromobenzoate (English)

9 October 2016

1 reference

CHEMBL1271429 (English)

9 October 2016

ChEBI ID

93289

mapping relation type

1 reference

4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (English)

9 October 2016

1 reference