4-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzoate Formula: C17H11BrN3O4S- MolecularWeight: 433.25594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C17H12BrN3O4S/c18-13-4-2-1-3-12(13)15-20-21-17(25-15)26-9-14(22)19-11-7-5-10(6-8-11)16(23)24/h1-8H,9H2,(H,19,22)(H,23,24)/p-1