methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate Openeye Name: methyl 2-[2-phenyl-6-(p-tolylsulfanyl)pyrimidin-4-yl]sulfanylbenzoate CAS Name: 2-[[6-[(4-methylphenyl)thio]-2-phenyl-4-pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-4-yl]sulfanylbenzoate Traditional Name: 2-[[2-phenyl-6-(p-tolylthio)pyrimidin-4-yl]thio]benzoic acid methyl ester Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H20N2O2S2/c1-17-12-14-19(15-13-17)30-22-16-23(27-24(26-22)18-8-4-3-5-9-18)31-21-11-7-6-10-20(21)25(28)29-2/h3-16H,1-2H3