2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-[3-(1-imidazolyl)-2-quinoxalinyl]-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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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=C2N4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CN=C4

InChI

InChI=1S/C20H15N5O2S/c1-14-6-8-15(9-7-14)28(26,27)18(12-21)19-20(25-11-10-22-13-25)24-17-5-3-2-4-16(17)23-19/h2-11,13,18H,1H3