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

Systemtic Name: 3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C(=S)N

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C(=S)N

InChI

InChI=1S/C12H20N4S/c1-12(2,3)9-8-6-4-5-7-14-10(8)16(15-9)11(13)17/h15H,4-7H2,1-3H3,(H2,13,17)