3-[bis(fluoranyl)methyl]-5-(butan-2-ylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbaldehyde

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(butan-2-ylamino)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbaldehyde Openeye Name: 3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridyl)-5-(sec-butylamino)pyrazole-4-carbaldehyde CAS Name: 5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbaldehyde Traditional Name: 3-(difluoromethyl)-1-(5-mesyl-2-pyridyl)-5-(sec-butylamino)pyrazole-4-carbaldehyde Formula: C15H18F2N4O3S MolecularWeight: 372.390226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F2N4O3S/c1-4-9(2)19-15-11(8-22)13(14(16)17)20-21(15)12-6-5-10(7-18-12)25(3,23)24/h5-9,14,19H,4H2,1-3H3