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

Systemtic Name: 3-(2-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C14H15IN4S MolecularWeight: 398.26517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC=C3I)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC=C3I)C1

InChI

InChI=1S/C14H15IN4S/c15-11-7-2-1-5-9(11)12-10-6-3-4-8-17-13(10)19(18-12)14(16)20/h1-2,5,7,18H,3-4,6,8H2,(H2,16,20)