5-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(3-methylquinoxalin-2-yl)thio]acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H17F3N4O2S MolecularWeight: 446.44549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3C(CC(=O)NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3C(CC(=O)NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c1-12-20(27-14-7-3-2-6-13(14)25-12)31-11-19(30)28-16-9-5-4-8-15(16)26-18(29)10-17(28)21(22,23)24/h2-9,17H,10-11H2,1H3,(H,26,29)