4-chloranyl-1-methyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-1-methyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-chloro-1-methyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-chloro-1-methyl-N-[3-(methylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-chloro-1-methyl-N-(3-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-chloro-1-methyl-N-[3-(methylthio)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C13H11ClF3N3OS MolecularWeight: 349.75915

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC(=CC=C2)SC)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC(=CC=C2)SC)Cl)C(F)(F)F

InChI

InChI=1S/C13H11ClF3N3OS/c1-20-11(13(15,16)17)9(14)10(19-20)12(21)18-7-4-3-5-8(6-7)22-2/h3-6H,1-2H3,(H,18,21)