2-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C16H14ClF3N3O2S- MolecularWeight: 404.81447

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C

InChI

InChI=1S/C16H15ClF3N3O2S/c1-3-10-8(2)21-15(23-14(10)25)26-7-13(24)22-12-6-9(16(18,19)20)4-5-11(12)17/h4-6H,3,7H2,1-2H3,(H,22,24)(H,21,23,25)/p-1