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

Systemtic Name: 3-ethyl-5-pyridin-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 3-ethyl-5-(2-pyridyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 3-ethyl-5-(2-pyridinyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 3-ethyl-5-pyridin-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 3-ethyl-5-(2-pyridyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C17H14F3N3S MolecularWeight: 349.37337

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)C3=CC=CC=N3

Isomeric SMILES

CCC1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)C3=CC=CC=N3

InChI

InChI=1S/C17H14F3N3S/c1-2-12-16(24)23-13-7-6-10(17(18,19)20)9-11(13)15(22-12)14-5-3-4-8-21-14/h3-9,12H,2H2,1H3,(H,23,24)