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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)[O-]

InChI

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