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

Systemtic Name: 3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C12H14N6S MolecularWeight: 274.34476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6S/c13-12(19)18-11-8(3-1-2-4-16-11)10(17-18)9-7-14-5-6-15-9/h5-7,17H,1-4H2,(H2,13,19)