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

Systemtic Name: 2-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]thio]propionic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC(C)C(=O)O

InChI

InChI=1S/C11H17N3O3S/c1-6-10(7(2)14(4)13-6)12-9(15)5-18-8(3)11(16)17/h8H,5H2,1-4H3,(H,12,15)(H,16,17)