2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-benzoyl chloride

Systemtic Name: 2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-benzoyl chloride Openeye Name: 2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-benzoyl chloride CAS Name: 2-ethyl-5-methylsulfonyl-4-(2-pyrimidinylthio)benzoyl chloride IUPAC Name: 2-ethyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanylbenzoyl chloride Traditional Name: 2-ethyl-5-mesyl-4-(2-pyrimidylthio)benzoyl chloride Formula: C14H13ClN2O3S2 MolecularWeight: 356.84762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NC=CC=N2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)SC2=NC=CC=N2

InChI

InChI=1S/C14H13ClN2O3S2/c1-3-9-7-11(21-14-16-5-4-6-17-14)12(22(2,19)20)8-10(9)13(15)18/h4-8H,3H2,1-2H3