7-fluoranyl-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 7-fluoranyl-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7-fluoro-3-propyl-5-(2-pyridyl)-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7-fluoro-3-propyl-5-(2-pyridinyl)-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7-fluoro-3-propyl-5-(2-pyridyl)-8-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C18H15F4N3S MolecularWeight: 381.390413

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=S)NC2=CC(=C(C=C2C(=N1)C3=CC=CC=N3)F)C(F)(F)F

Isomeric SMILES

CCCC1C(=S)NC2=CC(=C(C=C2C(=N1)C3=CC=CC=N3)F)C(F)(F)F

InChI

InChI=1S/C18H15F4N3S/c1-2-5-14-17(26)25-15-9-11(18(20,21)22)12(19)8-10(15)16(24-14)13-6-3-4-7-23-13/h3-4,6-9,14H,2,5H2,1H3,(H,25,26)