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

Systemtic Name: 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-benzofuranyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC4=CC=CC=C4O3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC4=CC=CC=C4O3)C1

InChI

InChI=1S/C16H16N4OS/c17-16(22)20-15-11(6-3-4-8-18-15)14(19-20)13-9-10-5-1-2-7-12(10)21-13/h1-2,5,7,9,19H,3-4,6,8H2,(H2,17,22)