ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O2S2/c1-2-26-20(25)14-28-19-12-17(13-27-18-10-8-16(22)9-11-18)23-21(24-19)15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3