lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-pyrazole-3-carboxylate Openeye Name: lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-pyrazole-3-carboxylate CAS Name: lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)-3-pyrazolecarboxylate IUPAC Name: lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanylpyrazole-3-carboxylate Traditional Name: lithium 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylthio)pyrazole-3-carboxylate Formula: C17H10Cl3LiN2O2S MolecularWeight: 419.6385

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CSC1=C(N(N=C1C(=O)[O-])C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

[Li+].CSC1=C(N(N=C1C(=O)[O-])C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11Cl3N2O2S.Li/c1-25-16-14(17(23)24)21-22(13-7-6-11(19)8-12(13)20)15(16)9-2-4-10(18)5-3-9;/h2-8H,1H3,(H,23,24);/q;+1/p-1