8-methyl-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 8-methyl-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 8-methyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 8-methyl-2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 8-methyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-8-methyl-quinoline-3-carbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H16N4O2S/c1-13-5-4-6-14-9-15(10-22)21(24-20(13)14)28-12-19(27)25-11-18(26)23-16-7-2-3-8-17(16)25/h2-9H,11-12H2,1H3,(H,23,26)