2-[2-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[2-methyl-4-phenyl-5-(trifluoromethyl)-3-pyrazolyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]amino]ethyl]thio]acetic acid Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)NC(=O)CSCC(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C15H14F3N3O3S/c1-21-14(19-10(22)7-25-8-11(23)24)12(9-5-3-2-4-6-9)13(20-21)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,22)(H,23,24)