2-(4-bromanyl-3-chloranyl-2-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(4-bromanyl-3-chloranyl-2-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-bromo-3-chloro-2-methylsulfonyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[(4-bromo-3-chloro-2-methylsulfonylphenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(4-bromo-3-chloro-2-methylsulfonylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(4-bromo-3-chloro-2-mesyl-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C14H11BrClNO4S MolecularWeight: 404.66344

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1Cl)Br)C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1Cl)Br)C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C14H11BrClNO4S/c1-22(20,21)14-8(4-5-10(15)11(14)16)13(19)9(6-17)12(18)7-2-3-7/h4-5,7,9H,2-3H2,1H3