5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-[(2-chlorophenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-[(2-chlorobenzyl)thio]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C13H10ClF3N2OS MolecularWeight: 334.74451

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=O)SCC2=CC=CC=C2Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C=O)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H10ClF3N2OS/c1-19-12(9(6-20)11(18-19)13(15,16)17)21-7-8-4-2-3-5-10(8)14/h2-6H,7H2,1H3