2-azanyl-3-[(4-bromanylpyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-bromanylpyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-bromopyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-bromo-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-bromopyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-bromopyrazol-1-yl)methylthio]propionic acid Formula: C7H10BrN3O2S MolecularWeight: 280.1422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCC(C(=O)O)N)Br

Isomeric SMILES

C1=C(C=NN1CSCC(C(=O)O)N)Br

InChI

InChI=1S/C7H10BrN3O2S/c8-5-1-10-11(2-5)4-14-3-6(9)7(12)13/h1-2,6H,3-4,9H2,(H,12,13)