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

Systemtic Name: 7-methyl-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 7-methyl-2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 7-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]-7-methyl-quinoline-3-carbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C#N

InChI

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