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

Systemtic Name: 5-[2-(2-bromophenyl)sulfanylethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(2-bromophenyl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(2-bromophenyl)thio]-1-oxoethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(2-bromophenyl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(2-bromophenyl)thio]acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H14BrF3N2O2S MolecularWeight: 459.28017

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=CC=CC=C3Br)C(F)(F)F

Isomeric SMILES

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=CC=CC=C3Br)C(F)(F)F

InChI

InChI=1S/C18H14BrF3N2O2S/c19-11-5-1-4-8-14(11)27-10-17(26)24-13-7-3-2-6-12(13)23-16(25)9-15(24)18(20,21)22/h1-8,15H,9-10H2,(H,23,25)