2-azanyl-3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methylthio]propionic acid Formula: C9H14ClN3O2S MolecularWeight: 263.74436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCC(C(=O)O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CSCC(C(=O)O)N)C)Cl

InChI

InChI=1S/C9H14ClN3O2S/c1-5-8(10)6(2)13(12-5)4-16-3-7(11)9(14)15/h7H,3-4,11H2,1-2H3,(H,14,15)