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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(5-chloro-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(5-chloro-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(5-chlorothiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(5-chloro-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C12H13ClN4S2 MolecularWeight: 312.84142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=C(S3)Cl)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=C(S3)Cl)C1

InChI

InChI=1S/C12H13ClN4S2/c13-9-5-4-8(19-9)10-7-3-1-2-6-15-11(7)17(16-10)12(14)18/h4-5,16H,1-3,6H2,(H2,14,18)