2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-5-ethyl-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-5-ethyl-6-keto-3-phenyl-pyrimidin-4-olate Formula: C19H16ClN2O2S- MolecularWeight: 371.86054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H17ClN2O2S/c1-2-16-17(23)21-19(25-12-13-8-10-14(20)11-9-13)22(18(16)24)15-6-4-3-5-7-15/h3-11,24H,2,12H2,1H3/p-1