5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(3-methyl-1-piperidyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(3-methyl-1-piperidinyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(4-mesylphenyl)-5-(3-methylpiperidino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H19F3N4O2S/c1-12-4-3-9-24(11-12)17-15(10-22)16(18(19,20)21)23-25(17)13-5-7-14(8-6-13)28(2,26)27/h5-8,12H,3-4,9,11H2,1-2H3