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

Systemtic Name: 3,3-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1H-quinoxalin-2-one Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5O2S/c1-20(2)18(27)21-14-10-6-7-11-15(14)25(20)16(26)12-28-19-22-17(23-24-19)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,27)(H,22,23,24)