5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-[(4-bromophenyl)thio]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-[(4-bromophenyl)thio]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C12H8BrF3N2OS MolecularWeight: 365.16893

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=O)SC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C=O)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H8BrF3N2OS/c1-18-11(20-8-4-2-7(13)3-5-8)9(6-19)10(17-18)12(14,15)16/h2-6H,1H3