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

Systemtic Name: methyl 2-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methylthio]benzoic acid methyl ester Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S/c1-22-18(20)15(17(21-22)13-8-4-3-5-9-13)12-25-16-11-7-6-10-14(16)19(23)24-2/h3-11H,12H2,1-2H3