2-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C13H8ClF3N3O2S- MolecularWeight: 362.73473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3N3O2S/c14-9-2-1-7(5-8(9)13(15,16)17)19-11(22)6-23-12-18-4-3-10(21)20-12/h1-5H,6H2,(H,19,22)(H,18,20,21)/p-1