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

Systemtic Name: 5-azanyl-1-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide Openeye Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide CAS Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-3-pyrazolecarbothioamide IUPAC Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazole-3-carbothioamide Traditional Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-pyrazole-3-carbothioamide Formula: C12H10ClF3N4OS2 MolecularWeight: 382.81221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClF3N4OS2/c1-23(21)9-8(11(18)22)19-20(10(9)17)7-3-2-5(4-6(7)13)12(14,15)16/h2-4H,17H2,1H3,(H2,18,22)