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

Systemtic Name: 3-[[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]methyl]benzonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C20H19N3O2S/c1-20(2)19(25)22-16-8-3-4-9-17(16)23(20)18(24)13-26-12-15-7-5-6-14(10-15)11-21/h3-10H,12-13H2,1-2H3,(H,22,25)