5-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-olate

Systemtic Name: 5-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-olate Openeye Name: 5-[(3,4-dichlorophenyl)methyl]-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-olate CAS Name: 5-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-[(3,4-dichlorophenyl)methyl]-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-olate Traditional Name: 5-(3,4-dichlorobenzyl)-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-olate Formula: C12H6Cl2F3N2OS- MolecularWeight: 354.15505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(NC(=S)N=C2[O-])C(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(NC(=S)N=C2[O-])C(F)(F)F)Cl)Cl

InChI

InChI=1S/C12H7Cl2F3N2OS/c13-7-2-1-5(4-8(7)14)3-6-9(12(15,16)17)18-11(21)19-10(6)20/h1-2,4H,3H2,(H2,18,19,20,21)/p-1