1-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[3-[(4-fluorophenyl)methyl]-2-quinoxalinyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[3-(4-fluorobenzyl)quinoxalin-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C21H21FN2OS MolecularWeight: 368.467643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2OS/c1-21(2,3)19(25)13-26-20-18(12-14-8-10-15(22)11-9-14)23-16-6-4-5-7-17(16)24-20/h4-11H,12-13H2,1-3H3