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

Systemtic Name: 2-[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H12ClF3N3O2S- MolecularWeight: 438.83069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[O-]

InChI

InChI=1S/C19H13ClF3N3O2S/c20-12-6-7-14(13(8-12)19(21,22)23)24-17(28)10-29-18-25-15(9-16(27)26-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,24,28)(H,25,26,27)/p-1