2-methyl-5-(5-methylsulfonylcyclopenta-1,4-dien-1-yl)benzenecarbonitrile

Systemtic Name: 2-methyl-5-(5-methylsulfonylcyclopenta-1,4-dien-1-yl)benzenecarbonitrile Openeye Name: 2-methyl-5-(5-methylsulfonylcyclopenta-1,4-dien-1-yl)benzonitrile CAS Name: 2-methyl-5-(5-methylsulfonyl-1-cyclopenta-1,4-dienyl)benzonitrile IUPAC Name: 2-methyl-5-(5-methylsulfonylcyclopenta-1,4-dien-1-yl)benzonitrile Traditional Name: 5-(5-mesylcyclopenta-1,4-dien-1-yl)-2-methyl-benzonitrile Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CCC=C2S(=O)(=O)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CCC=C2S(=O)(=O)C)C#N

InChI

InChI=1S/C14H13NO2S/c1-10-6-7-11(8-12(10)9-15)13-4-3-5-14(13)18(2,16)17/h4-8H,3H2,1-2H3