5-[(4-methylpiperazin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-methylpiperazin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(4-methylpiperazin-1-yl)amino]-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-methyl-1-piperazinyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-methylpiperazin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-[(4-methylpiperazino)amino]-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H18F3N7O2S MolecularWeight: 429.42003

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C16H18F3N7O2S/c1-24-5-7-25(8-6-24)23-15-12(9-20)14(16(17,18)19)22-26(15)13-4-3-11(10-21-13)29(2,27)28/h3-4,10,23H,5-8H2,1-2H3