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

Systemtic Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3S/c1-5-9(6(2)12-11-5)10-7(13)3-16-4-8(14)15/h3-4H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)