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

Systemtic Name: 2-azanyl-3-[(1,3-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(1,3-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(1,3-dimethyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(1,3-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(1,3-dimethylpyrazol-4-yl)methylthio]propionic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CSCC(C(=O)O)N)C

Isomeric SMILES

CC1=NN(C=C1CSCC(C(=O)O)N)C

InChI

InChI=1S/C9H15N3O2S/c1-6-7(3-12(2)11-6)4-15-5-8(10)9(13)14/h3,8H,4-5,10H2,1-2H3,(H,13,14)