2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(2,5-dimethylphenoxy)ethylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[2-(2,5-dimethylphenoxy)ethylthio]-6-phenyl-pyrimidin-4-olate Formula: C20H19N2O2S- MolecularWeight: 351.44206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S/c1-14-8-9-15(2)18(12-14)24-10-11-25-20-21-17(13-19(23)22-20)16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)/p-1