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

Systemtic Name: 2-[2-[(4-chlorophenyl)methyl]-4-methanoyl-5-methyl-pyrazol-3-yl]sulfanylethanoic acid Openeye Name: 2-[2-[(4-chlorophenyl)methyl]-4-formyl-5-methyl-pyrazol-3-yl]sulfanylacetic acid CAS Name: 2-[[2-[(4-chlorophenyl)methyl]-4-formyl-5-methyl-3-pyrazolyl]thio]acetic acid IUPAC Name: 2-[2-[(4-chlorophenyl)methyl]-4-formyl-5-methylpyrazol-3-yl]sulfanylacetic acid Traditional Name: 2-[[2-(4-chlorobenzyl)-4-formyl-5-methyl-pyrazol-3-yl]thio]acetic acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SCC(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=C1C=O)SCC(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-9-12(7-18)14(21-8-13(19)20)17(16-9)6-10-2-4-11(15)5-3-10/h2-5,7H,6,8H2,1H3,(H,19,20)