5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridazinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclohexylmethylamino)-1-(6-mesylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H19F3N6O2S MolecularWeight: 428.43197

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NCC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NCC3CCCCC3

InChI

InChI=1S/C17H19F3N6O2S/c1-29(27,28)14-8-7-13(23-24-14)26-16(22-10-11-5-3-2-4-6-11)12(9-21)15(25-26)17(18,19)20/h7-8,11,22H,2-6,10H2,1H3