2-(4-methanoyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-methanoyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanylethanoic acid Openeye Name: 2-(4-formyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanylacetic acid CAS Name: 2-[(4-formyl-5-methyl-2-phenyl-3-pyrazolyl)thio]acetic acid IUPAC Name: 2-(4-formyl-5-methyl-2-phenylpyrazol-3-yl)sulfanylacetic acid Traditional Name: 2-[(4-formyl-5-methyl-2-phenyl-pyrazol-3-yl)thio]acetic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c1-9-11(7-16)13(19-8-12(17)18)15(14-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,18)