3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]thio]propionic acid Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C10H15N3O3S/c1-6-10(7(2)13-12-6)11-8(14)5-17-4-3-9(15)16/h3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)