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

Systemtic Name: 3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C13H15N5S MolecularWeight: 273.3567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC=N3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC=N3)C1

InChI

InChI=1S/C13H15N5S/c14-13(19)18-12-9(5-1-3-8-16-12)11(17-18)10-6-2-4-7-15-10/h2,4,6-7,17H,1,3,5,8H2,(H2,14,19)