4,5,6-trimethyl-2-[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C20H20N4O2S/c1-11-12(2)15(9-21)19(22-13(11)3)27-14(4)20(26)24-10-18(25)23-16-7-5-6-8-17(16)24/h5-8,14H,10H2,1-4H3,(H,23,25)