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

Systemtic Name: 3-propyl-5-pyridin-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 3-propyl-5-(2-pyridyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 3-propyl-5-(2-pyridinyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 3-propyl-5-pyridin-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 3-propyl-5-(2-pyridyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C18H16F3N3S MolecularWeight: 363.39995

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)C3=CC=CC=N3

Isomeric SMILES

CCCC1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)C3=CC=CC=N3

InChI

InChI=1S/C18H16F3N3S/c1-2-5-15-17(25)24-13-8-7-11(18(19,20)21)10-12(13)16(23-15)14-6-3-4-9-22-14/h3-4,6-10,15H,2,5H2,1H3,(H,24,25)