1-(5-methylsulfonylpyridin-2-yl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(1-ethylpropylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(1-ethylpropylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H18F3N5O2S MolecularWeight: 401.40663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CCC(CC)NC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C16H18F3N5O2S/c1-4-10(5-2)22-15-12(8-20)14(16(17,18)19)23-24(15)13-7-6-11(9-21-13)27(3,25)26/h6-7,9-10,22H,4-5H2,1-3H3