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

Systemtic Name: 2-ethyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride Openeye Name: 2-ethyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride CAS Name: 2-ethyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylthio)benzoyl chloride IUPAC Name: 2-ethyl-5-methylsulfonyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)benzoyl chloride Traditional Name: 2-ethyl-5-mesyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylthio)benzoyl chloride Formula: C14H17ClN2O3S2 MolecularWeight: 360.87938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NCCCN2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NCCCN2

InChI

InChI=1S/C14H17ClN2O3S2/c1-3-9-7-11(21-14-16-5-4-6-17-14)12(22(2,19)20)8-10(9)13(15)18/h7-8H,3-6H2,1-2H3,(H,16,17)