2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetic acid Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2)SCC(=O)O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2)SCC(=O)O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H12ClN3O2S/c17-12-3-1-11(2-4-12)15-14(10-5-7-18-8-6-10)16(20-19-15)23-9-13(21)22/h1-8H,9H2,(H,19,20)(H,21,22)