2-[(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(1R)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C

InChI

InChI=1S/C21H22N4O2S/c1-12-10-13(2)23-18(15(12)11-22)28-14(3)19(26)25-17-9-7-6-8-16(17)24-20(27)21(25,4)5/h6-10,14H,1-5H3,(H,24,27)/t14-/m1/s1