3-[bis(fluoranyl)methyl]-5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile CAS Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclopentylamino)-3-(difluoromethyl)-1-(4-mesylphenyl)pyrazole-4-carbonitrile Formula: C17H18F2N4O2S MolecularWeight: 380.412226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F2N4O2S/c1-26(24,25)13-8-6-12(7-9-13)23-17(21-11-4-2-3-5-11)14(10-20)15(22-23)16(18)19/h6-9,11,16,21H,2-5H2,1H3