3-[2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CCC#N)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4N3CCC#N)C

InChI

InChI=1S/C22H21N5O2S/c1-22(2)20(29)24-16-9-4-6-11-18(16)27(22)19(28)14-30-21-25-15-8-3-5-10-17(15)26(21)13-7-12-23/h3-6,8-11H,7,13-14H2,1-2H3,(H,24,29)