methyl 5-chloranyl-2-methyl-3-(phenylmethyl)-5-sulfanyl-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-chloranyl-2-methyl-3-(phenylmethyl)-5-sulfanyl-1H-pyrazole-4-carboxylate Openeye Name: methyl 3-benzyl-5-chloro-2-methyl-5-sulfanyl-1H-pyrazole-4-carboxylate CAS Name: 5-chloro-5-mercapto-2-methyl-3-(phenylmethyl)-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-5-chloro-2-methyl-5-sulfanyl-1H-pyrazole-4-carboxylate Traditional Name: 5-benzyl-3-chloro-3-mercapto-1-methyl-3-pyrazoline-4-carboxylic acid methyl ester Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(N1)(S)Cl)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(N1)(S)Cl)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C13H15ClN2O2S/c1-16-10(8-9-6-4-3-5-7-9)11(12(17)18-2)13(14,19)15-16/h3-7,15,19H,8H2,1-2H3