5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide

Systemtic Name: 5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide Openeye Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide CAS Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-3-pyrazolecarbothioamide IUPAC Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazole-3-carbothioamide Traditional Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide Formula: C12H9BrClF3N4OS2 MolecularWeight: 461.70827

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(N(N=C1C(=S)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

Isomeric SMILES

CS(=O)C1=C(N(N=C1C(=S)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H9BrClF3N4OS2/c1-24(22)9-7(11(19)23)20-21(10(9)18)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H2,19,23)