2-methyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride

Systemtic Name: 2-methyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride Openeye Name: 2-methyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride CAS Name: 2-methyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylthio)benzoyl chloride IUPAC Name: 2-methyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride Traditional Name: 5-mesyl-2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylthio)benzoyl chloride Formula: C13H15ClN2O3S2 MolecularWeight: 346.8528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NCCCN2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NCCCN2

InChI

InChI=1S/C13H15ClN2O3S2/c1-8-6-10(20-13-15-4-3-5-16-13)11(21(2,18)19)7-9(8)12(14)17/h6-7H,3-5H2,1-2H3,(H,15,16)