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

Systemtic Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-(2-pyridyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-(2-pyridinyl)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-(2-pyridyl)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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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=N3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C20H18ClN3O2S2/c1-2-26-19(25)13-28-18-11-15(12-27-16-8-6-14(21)7-9-16)23-20(24-18)17-5-3-4-10-22-17/h3-11H,2,12-13H2,1H3