2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate CAS Name: 2-[(3-fluorophenyl)methylthio]-5-methyl-4-pyrimidinolate IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methylpyrimidin-4-olate Traditional Name: 2-[(3-fluorobenzyl)thio]-5-methyl-pyrimidin-4-olate Formula: C12H10FN2OS- MolecularWeight: 249.284003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1[O-])SCC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CN=C(N=C1[O-])SCC2=CC(=CC=C2)F

InChI

InChI=1S/C12H11FN2OS/c1-8-6-14-12(15-11(8)16)17-7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,15,16)/p-1