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

Systemtic Name: 4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN2O3S/c21-17-10-8-16(9-11-17)19(24)25-12-4-5-13-27-20-23-22-18(26-20)14-15-6-2-1-3-7-15/h1-3,6-11H,12-14H2