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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5S/c14-13(19)18-12-10(3-1-2-6-16-12)11(17-18)9-4-7-15-8-5-9/h4-5,7-8,17H,1-3,6H2,(H2,14,19)