5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-(1H-benzimidazol-2-ylthio)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C19H15F3N4O2S MolecularWeight: 420.40821

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O2S/c20-19(21,22)15-9-16(27)23-13-7-3-4-8-14(13)26(15)17(28)10-29-18-24-11-5-1-2-6-12(11)25-18/h1-8,15H,9-10H2,(H,23,27)(H,24,25)