2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H13ClF3N4O2S- MolecularWeight: 405.80253

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

InChI

InChI=1S/C15H14ClF3N4O2S/c1-2-3-9-5-11(24)23-14(21-9)26-7-12(25)22-13-10(16)4-8(6-20-13)15(17,18)19/h4-6H,2-3,7H2,1H3,(H,20,22,25)(H,21,23,24)/p-1