2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(4-chloro-3-methylphenoxy)ethylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloro-3-methylphenoxy)ethylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-6-phenyl-pyrimidin-4-olate Formula: C19H16ClN2O2S- MolecularWeight: 371.86054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S/c1-13-11-15(7-8-16(13)20)24-9-10-25-19-21-17(12-18(23)22-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,22,23)/p-1