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

Systemtic Name: 3,3-dimethyl-4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-1H-quinoxalin-2-one Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C25H22N6O2S/c1-25(2)23(33)27-19-10-6-7-11-20(19)31(25)21(32)16-34-24-29-28-22(17-12-14-26-15-13-17)30(24)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,27,33)