2-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropylsulfanyl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropylsulfanyl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3-isobutylsulfanylquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropylthio)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropylsulfanyl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-[3-(isobutylthio)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2SCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2SCC(C)C

InChI

InChI=1S/C21H21N3O2S2/c1-14(2)13-27-21-20(23-17-6-4-5-7-18(17)24-21)19(12-22)28(25,26)16-10-8-15(3)9-11-16/h4-11,14,19H,13H2,1-3H3