1-(4-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]ethanone Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H20N2O3S2/c1-15-12-21(28-13-19(25)17-8-10-18(27-2)11-9-17)24-22(23-15)29-14-20(26)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3