N-(2,4-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[3-[(4-fluorophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[3-(4-fluorobenzyl)quinoxalin-2-yl]thio]acetamide Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3OS/c1-16-7-12-20(17(2)13-16)28-24(30)15-31-25-23(14-18-8-10-19(26)11-9-18)27-21-5-3-4-6-22(21)29-25/h3-13H,14-15H2,1-2H3,(H,28,30)