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

Systemtic Name: (4S)-5-(2-pyrimidin-2-ylsulfanylethanoyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-(2-pyrimidin-2-ylsulfanylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-(2-pyrimidin-2-ylsulfanylacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(2-pyrimidylthio)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C16H13F3N4O2S MolecularWeight: 382.36023

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=CC=N3)C(F)(F)F

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C2NC1=O)C(=O)CSC3=NC=CC=N3)C(F)(F)F

InChI

InChI=1S/C16H13F3N4O2S/c17-16(18,19)12-8-13(24)22-10-4-1-2-5-11(10)23(12)14(25)9-26-15-20-6-3-7-21-15/h1-7,12H,8-9H2,(H,22,24)/t12-/m0/s1