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

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)Cl

InChI

InChI=1S/C14H12ClNO4S/c1-21(19,20)9-4-5-10(12(15)6-9)14(18)11(7-16)13(17)8-2-3-8/h4-6,8,11H,2-3H2,1H3