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

Systemtic Name: 2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]-1-(p-tolyl)ethanone Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O2S2/c1-15-8-10-18(11-9-15)19(25)13-27-21-12-16(2)23-22(24-21)28-14-20(26)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3