2-[4-azanyl-3-(trifluoromethyl)phenyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[4-azanyl-3-(trifluoromethyl)phenyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[4-amino-3-(trifluoromethyl)phenyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[4-amino-3-(trifluoromethyl)phenyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-amino-3-(trifluoromethyl)phenyl]thio]-6-methyl-pyrimidin-4-olate Formula: C12H9F3N3OS- MolecularWeight: 300.27957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2)N)C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC(=C(C=C2)N)C(F)(F)F)[O-]

InChI

InChI=1S/C12H10F3N3OS/c1-6-4-10(19)18-11(17-6)20-7-2-3-9(16)8(5-7)12(13,14)15/h2-5H,16H2,1H3,(H,17,18,19)/p-1