5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclopentylamino)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclopentylamino)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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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)F)C#N)NC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O2S/c1-27(25,26)13-8-6-12(7-9-13)24-16(22-11-4-2-3-5-11)14(10-21)15(23-24)17(18,19)20/h6-9,11,22H,2-5H2,1H3