3-[bis(fluoranyl)methyl]-5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbonitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbonitrile CAS Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridazinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(6-mesylpyridazin-3-yl)pyrazole-4-carbonitrile Formula: C15H16F2N6O2S MolecularWeight: 382.388346

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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)C#N)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=NN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)NC3CCCC3

InChI

InChI=1S/C15H16F2N6O2S/c1-26(24,25)12-7-6-11(20-21-12)23-15(19-9-4-2-3-5-9)10(8-18)13(22-23)14(16)17/h6-7,9,14,19H,2-5H2,1H3