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

Systemtic Name: 4-methyl-5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridyl]thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O2S/c1-11-8-15(25)23-13-4-2-3-5-14(13)24(11)17(26)10-27-16-7-6-12(9-22-16)18(19,20)21/h2-7,9,11H,8,10H2,1H3,(H,23,25)