2-(6-methyl-3-methylsulfonyl-indol-1-yl)ethanenitrile

Systemtic Name: 2-(6-methyl-3-methylsulfonyl-indol-1-yl)ethanenitrile Openeye Name: 2-(6-methyl-3-methylsulfonyl-indol-1-yl)acetonitrile CAS Name: 2-(6-methyl-3-methylsulfonyl-1-indolyl)acetonitrile IUPAC Name: 2-(6-methyl-3-methylsulfonylindol-1-yl)acetonitrile Traditional Name: 2-(3-mesyl-6-methyl-indol-1-yl)acetonitrile Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2CC#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2CC#N)S(=O)(=O)C

InChI

InChI=1S/C12H12N2O2S/c1-9-3-4-10-11(7-9)14(6-5-13)8-12(10)17(2,15)16/h3-4,7-8H,6H2,1-2H3