4-[[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[(4-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-[(4-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]thio]methyl]benzoic acid Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17ClN2O2S2/c1-13-10-18(26-11-14-2-6-16(7-3-14)19(24)25)23-20(22-13)27-12-15-4-8-17(21)9-5-15/h2-10H,11-12H2,1H3,(H,24,25)