3,3-dimethyl-1-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]butan-2-one Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-21(2,3)19(25)13-28-20-18(22-16-9-4-5-10-17(16)23-20)12-14-7-6-8-15(11-14)24(26)27/h4-11H,12-13H2,1-3H3