7-bromanyl-3-ethyl-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 7-bromanyl-3-ethyl-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7-bromo-3-ethyl-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7-bromo-3-ethyl-5-(2-pyridinyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7-bromo-3-ethyl-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7-bromo-3-ethyl-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C16H14BrN3S MolecularWeight: 360.27146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3S/c1-2-12-16(21)20-13-7-6-10(17)9-11(13)15(19-12)14-5-3-4-8-18-14/h3-9,12H,2H2,1H3,(H,20,21)