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

Systemtic Name: N-[6-[5-butan-2-ylsulfanyl-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]sulfonylethanamide Openeye Name: N-[[6-[4-cyano-5-sec-butylsulfanyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridyl]sulfonyl]acetamide CAS Name: N-[[6-[5-(butan-2-ylthio)-4-cyano-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinyl]sulfonyl]acetamide IUPAC Name: N-[6-[5-butan-2-ylsulfanyl-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]sulfonylacetamide Traditional Name: N-[[6-[4-cyano-5-(sec-butylthio)-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridyl]sulfonyl]acetamide Formula: C16H16F3N5O3S2 MolecularWeight: 447.45515

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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)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N5O3S2/c1-4-9(2)28-15-12(7-20)14(16(17,18)19)22-24(15)13-6-5-11(8-21-13)29(26,27)23-10(3)25/h5-6,8-9H,4H2,1-3H3,(H,23,25)