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

Systemtic Name: 3-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2-pyridylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2-pyridylmethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C14H17N5S MolecularWeight: 287.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)CC3=CC=CC=N3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)CC3=CC=CC=N3)C1

InChI

InChI=1S/C14H17N5S/c15-14(20)19-13-11(6-2-4-8-17-13)12(18-19)9-10-5-1-3-7-16-10/h1,3,5,7,18H,2,4,6,8-9H2,(H2,15,20)