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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]acetamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22N4O3S/c1-16-10-11-20(17(2)12-16)27-24(30)15-33-25-23(26-21-8-3-4-9-22(21)28-25)14-18-6-5-7-19(13-18)29(31)32/h3-13H,14-15H2,1-2H3,(H,27,30)