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

Systemtic Name: 2-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl]thio]acetic acid Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3S/c1-18-12(16-13(19)7-22-8-14(20)21)6-11(17-18)9-2-4-10(15)5-3-9/h2-6H,7-8H2,1H3,(H,16,19)(H,20,21)