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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CSCC(C(=O)O)N

Isomeric SMILES

CCN1C=C(C=N1)CSCC(C(=O)O)N

InChI

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