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

Systemtic Name: 5-[2-(4-bromophenyl)sulfanylethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(4-bromophenyl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(4-bromophenyl)sulfanylacetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(4-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=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

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

InChI

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