2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSCC(=O)O

InChI

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