3-(5-bromanylpyridin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(5-bromo-3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(5-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(5-bromopyridin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(5-bromo-3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C13H14BrN5S MolecularWeight: 352.25276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC(=CN=C3)Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC(=CN=C3)Br)C1

InChI

InChI=1S/C13H14BrN5S/c14-9-5-8(6-16-7-9)11-10-3-1-2-4-17-12(10)19(18-11)13(15)20/h5-7,18H,1-4H2,(H2,15,20)