2-(4-methylphenyl)sulfonyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-oxo-4H-quinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-oxo-4H-quinoxalin-2-yl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-oxo-4H-quinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-keto-4H-quinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C17H13N3O3S MolecularWeight: 339.36842

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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=C3NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H13N3O3S/c1-11-6-8-12(9-7-11)24(22,23)15(10-18)16-17(21)20-14-5-3-2-4-13(14)19-16/h2-9,15H,1H3,(H,20,21)