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

Systemtic Name: 3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

C1CCC(C1)C2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C13H20N4S/c14-13(18)17-12-10(7-3-4-8-15-12)11(16-17)9-5-1-2-6-9/h9,16H,1-8H2,(H2,14,18)