2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-methylsulfonyl-ethanenitrile

Systemtic Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-methylsulfonyl-ethanenitrile Openeye Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-methylsulfonyl-acetonitrile CAS Name: 2-[3-(5,6-dimethyl-1-benzimidazolyl)-2-quinoxalinyl]-2-methylsulfonylacetonitrile IUPAC Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-methylsulfonylacetonitrile Traditional Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)quinoxalin-2-yl]-2-mesyl-acetonitrile Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C

InChI

InChI=1S/C20H17N5O2S/c1-12-8-16-17(9-13(12)2)25(11-22-16)20-19(18(10-21)28(3,26)27)23-14-6-4-5-7-15(14)24-20/h4-9,11,18H,1-3H3