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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(1-ethylpropylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pentan-3-ylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(1-ethylpropylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C16H19F3N4O3S MolecularWeight: 404.40727

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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=O

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N4O3S/c1-4-10(5-2)21-15-12(9-24)14(16(17,18)19)22-23(15)13-7-6-11(8-20-13)27(3,25)26/h6-10,21H,4-5H2,1-3H3