methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate Openeye Name: methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-6-(methoxymethyl)-4-pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]-6-(methoxymethyl)pyrimidin-4-yl]thio]benzoic acid methyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H19ClN2O3S2/c1-26-12-16-11-19(29-18-6-4-3-5-17(18)20(25)27-2)24-21(23-16)28-13-14-7-9-15(22)10-8-14/h3-11H,12-13H2,1-2H3