2,5-di(butan-2-yl)-4-methylsulfonyl-benzenecarbonitrile

Systemtic Name: 2,5-di(butan-2-yl)-4-methylsulfonyl-benzenecarbonitrile Openeye Name: 4-methylsulfonyl-2,5-disec-butyl-benzonitrile CAS Name: 2,5-di(butan-2-yl)-4-methylsulfonylbenzonitrile IUPAC Name: 2,5-di(butan-2-yl)-4-methylsulfonylbenzonitrile Traditional Name: 4-mesyl-2,5-disec-butyl-benzonitrile Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1C#N)C(C)CC)S(=O)(=O)C

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1C#N)C(C)CC)S(=O)(=O)C

InChI

InChI=1S/C16H23NO2S/c1-6-11(3)14-9-16(20(5,18)19)15(12(4)7-2)8-13(14)10-17/h8-9,11-12H,6-7H2,1-5H3