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

Systemtic Name: 3-(3-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(3-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=C3)I)C1

Isomeric SMILES

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

InChI

InChI=1S/C14H15IN4S/c15-10-5-3-4-9(8-10)12-11-6-1-2-7-17-13(11)19(18-12)14(16)20/h3-5,8,18H,1-2,6-7H2,(H2,16,20)