4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]butanoic acid

Systemtic Name: 4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]butanoic acid Openeye Name: 4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]butanoic acid CAS Name: 4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]butanoic acid IUPAC Name: 4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]butanoic acid Traditional Name: 4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]butyric acid Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=S)O2)CNCCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=S)O2)CNCCCC(=O)O)Br

InChI

InChI=1S/C13H14BrN3O3S/c14-10-5-3-9(4-6-10)12-16-17(13(21)20-12)8-15-7-1-2-11(18)19/h3-6,15H,1-2,7-8H2,(H,18,19)