5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbothioamide

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbothioamide Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbothioamide CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolecarbothioamide IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carbothioamide Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazole-3-carbothioamide Formula: C12H9Cl2F3N4O2S2 MolecularWeight: 433.25667

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N(N=C1C(=S)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(N(N=C1C(=S)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H9Cl2F3N4O2S2/c1-25(22,23)9-7(11(19)24)20-21(10(9)18)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H2,19,24)