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

Systemtic Name: 3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-isobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2-methylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-isobutyl-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)CC1=C2CCCCN=C2N(N1)C(=S)N

Isomeric SMILES

CC(C)CC1=C2CCCCN=C2N(N1)C(=S)N

InChI

InChI=1S/C12H20N4S/c1-8(2)7-10-9-5-3-4-6-14-11(9)16(15-10)12(13)17/h8,15H,3-7H2,1-2H3,(H2,13,17)