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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethyl-pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-ethylpyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-ethyl-pyrimidin-4-olate Formula: C13H12ClN2OS- MolecularWeight: 279.76518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C13H13ClN2OS/c1-2-11-7-12(17)16-13(15-11)18-8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H,15,16,17)/p-1