5-azanyl-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethylsulfonyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-triflyl-pyrazole-3-carbonitrile Formula: C11H4ClF6N5O2S MolecularWeight: 419.690179

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)C(F)(F)F

InChI

InChI=1S/C11H4ClF6N5O2S/c12-5-1-4(10(13,14)15)3-21-9(5)23-8(20)7(6(2-19)22-23)26(24,25)11(16,17)18/h1,3H,20H2