2-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methylthio]benzoic acid IUPAC Name: 2-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylthio]benzoic acid Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C18H15ClN2O2S/c1-21-17(19)14(16(20-21)12-7-3-2-4-8-12)11-24-15-10-6-5-9-13(15)18(22)23/h2-10H,11H2,1H3,(H,22,23)