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

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC=C3Br

InChI

InChI=1S/C20H15BrN2O3S/c1-14-8-10-15(11-9-14)19(24)25-12-4-5-13-27-20-23-22-18(26-20)16-6-2-3-7-17(16)21/h2-3,6-11H,12-13H2,1H3