4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,4-dihydropyrazol-5-one Openeye Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1,4-dihydropyrazol-5-one CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1,4-dihydropyrazol-5-one IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,4-dihydropyrazol-5-one Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-2-pyrazolin-3-one Formula: C9H5ClF3N3OS MolecularWeight: 295.66871

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=O)C1SC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=NNC(=O)C1SC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C9H5ClF3N3OS/c10-5-1-4(9(11,12)13)2-14-8(5)18-6-3-15-16-7(6)17/h1-3,6H,(H,16,17)