2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]thio]-1-(p-tolyl)ethanone Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2)C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2)C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2OS2/c1-14-3-7-17(8-4-14)19(25)13-26-20-11-15(2)23-21(24-20)27-12-16-5-9-18(22)10-6-16/h3-11H,12-13H2,1-2H3