4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O2S/c1-4-26-18(14-9-11-22-12-10-14)24-25-20(26)30-13-17(28)27-16-8-6-5-7-15(16)23-19(29)21(27,2)3/h5-12H,4,13H2,1-3H3,(H,23,29)