2-chloranyl-2-cyclopropylcarbonyl-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-chloranyl-2-cyclopropylcarbonyl-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-chloro-2-(cyclopropanecarbonyl)-3-(4-methylsulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-chloro-2-[cyclopropyl(oxo)methyl]-3-(4-methylsulfonylphenyl)-3-oxopropanenitrile IUPAC Name: 2-chloro-2-(cyclopropanecarbonyl)-3-(4-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-chloro-2-(cyclopropanecarbonyl)-3-keto-3-(4-mesylphenyl)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)11-6-4-10(5-7-11)13(18)14(15,8-16)12(17)9-2-3-9/h4-7,9H,2-3H2,1H3