2-[4-methanoyl-5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-methanoyl-5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfanylethanoic acid Openeye Name: 2-[4-formyl-5-methyl-2-(p-tolylmethyl)pyrazol-3-yl]sulfanylacetic acid CAS Name: 2-[[4-formyl-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolyl]thio]acetic acid IUPAC Name: 2-[4-formyl-5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfanylacetic acid Traditional Name: 2-[[4-formyl-5-methyl-2-(4-methylbenzyl)pyrazol-3-yl]thio]acetic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=O)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=O)SCC(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-10-3-5-12(6-4-10)7-17-15(21-9-14(19)20)13(8-18)11(2)16-17/h3-6,8H,7,9H2,1-2H3,(H,19,20)