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

Systemtic Name: 5-(2-quinazolin-4-ylsulfanylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-(2-quinazolin-4-ylsulfanylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-(2-quinazolin-4-ylsulfanylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-(quinazolin-4-ylthio)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H15F3N4O2S MolecularWeight: 432.41891

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O2S/c21-20(22,23)16-9-17(28)26-14-7-3-4-8-15(14)27(16)18(29)10-30-19-12-5-1-2-6-13(12)24-11-25-19/h1-8,11,16H,9-10H2,(H,26,28)