5,8-dimethyl-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 5,8-dimethyl-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 5,8-dimethyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 5,8-dimethyl-2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 5,8-dimethyl-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]-5,8-dimethyl-quinoline-3-carbonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)N3CC(=O)NC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H18N4O2S/c1-13-7-8-14(2)21-16(13)9-15(10-23)22(25-21)29-12-20(28)26-11-19(27)24-17-5-3-4-6-18(17)26/h3-9H,11-12H2,1-2H3,(H,24,27)