2-bromanyl-2-(1-methylcyclopropyl)carbonyl-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-bromanyl-2-(1-methylcyclopropyl)carbonyl-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-bromo-2-(1-methylcyclopropanecarbonyl)-3-(4-methylsulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-bromo-2-[(1-methylcyclopropyl)-oxomethyl]-3-(4-methylsulfonylphenyl)-3-oxopropanenitrile IUPAC Name: 2-bromo-2-(1-methylcyclopropanecarbonyl)-3-(4-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-bromo-3-keto-2-(4-mesylbenzoyl)-3-(1-methylcyclopropyl)propionitrile Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)C(C#N)(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)Br

Isomeric SMILES

CC1(CC1)C(=O)C(C#N)(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)Br

InChI

InChI=1S/C15H14BrNO4S/c1-14(7-8-14)13(19)15(16,9-17)12(18)10-3-5-11(6-4-10)22(2,20)21/h3-6H,7-8H2,1-2H3