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

Systemtic Name: 5-[[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]amino]-4-cyano-1-(trifluoromethyl)pyrazole-3-carbothioamide Openeye Name: 4-cyano-5-[2,6-dichloro-4-(trifluoromethyl)anilino]-1-(trifluoromethyl)pyrazole-3-carbothioamide CAS Name: 4-cyano-5-[2,6-dichloro-4-(trifluoromethyl)anilino]-1-(trifluoromethyl)-3-pyrazolecarbothioamide IUPAC Name: 4-cyano-5-[2,6-dichloro-4-(trifluoromethyl)anilino]-1-(trifluoromethyl)pyrazole-3-carbothioamide Traditional Name: 4-cyano-5-[2,6-dichloro-4-(trifluoromethyl)anilino]-1-(trifluoromethyl)pyrazole-3-carbothioamide Formula: C13H5Cl2F6N5S MolecularWeight: 448.173719

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)NC2=C(C(=NN2C(F)(F)F)C(=S)N)C#N)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)NC2=C(C(=NN2C(F)(F)F)C(=S)N)C#N)Cl)C(F)(F)F

InChI

InChI=1S/C13H5Cl2F6N5S/c14-6-1-4(12(16,17)18)2-7(15)9(6)24-11-5(3-22)8(10(23)27)25-26(11)13(19,20)21/h1-2,24H,(H2,23,27)