ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-3-yl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-3-yl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-(3-pyridyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-(3-pyridinyl)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-3-ylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[[(4-chlorophenyl)thio]methyl]-2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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