N-[6-[3-[bis(fluoranyl)methyl]-5-butan-2-ylsulfanyl-4-cyano-pyrazol-1-yl]pyridin-3-yl]sulfonylethanamide

Systemtic Name: N-[6-[3-[bis(fluoranyl)methyl]-5-butan-2-ylsulfanyl-4-cyano-pyrazol-1-yl]pyridin-3-yl]sulfonylethanamide Openeye Name: N-[[6-[4-cyano-3-(difluoromethyl)-5-sec-butylsulfanyl-pyrazol-1-yl]-3-pyridyl]sulfonyl]acetamide CAS Name: N-[[6-[5-(butan-2-ylthio)-4-cyano-3-(difluoromethyl)-1-pyrazolyl]-3-pyridinyl]sulfonyl]acetamide IUPAC Name: N-[6-[5-butan-2-ylsulfanyl-4-cyano-3-(difluoromethyl)pyrazol-1-yl]pyridin-3-yl]sulfonylacetamide Traditional Name: N-[[6-[4-cyano-3-(difluoromethyl)-5-(sec-butylthio)pyrazol-1-yl]-3-pyridyl]sulfonyl]acetamide Formula: C16H17F2N5O3S2 MolecularWeight: 429.464686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)NC(=O)C)C(F)F)C#N

Isomeric SMILES

CCC(C)SC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)NC(=O)C)C(F)F)C#N

InChI

InChI=1S/C16H17F2N5O3S2/c1-4-9(2)27-16-12(7-19)14(15(17)18)21-23(16)13-6-5-11(8-20-13)28(25,26)22-10(3)24/h5-6,8-9,15H,4H2,1-3H3,(H,22,24)