5-(2-quinolin-2-ylsulfanylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-(2-quinolin-2-ylsulfanylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(2-quinolylsulfanyl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[1-oxo-2-(2-quinolinylthio)ethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-(2-quinolin-2-ylsulfanylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-(2-quinolylthio)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O2S/c22-21(23,24)17-11-18(28)25-15-7-3-4-8-16(15)27(17)20(29)12-30-19-10-9-13-5-1-2-6-14(13)26-19/h1-10,17H,11-12H2,(H,25,28)