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

Systemtic Name: 2-[2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[2-chloro-4-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H10ClF3N3O2S- MolecularWeight: 376.76131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)Cl)[O-]

InChI

InChI=1S/C14H11ClF3N3O2S/c1-7-4-11(22)21-13(19-7)24-6-12(23)20-10-3-2-8(5-9(10)15)14(16,17)18/h2-5H,6H2,1H3,(H,20,23)(H,19,21,22)/p-1