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

Systemtic Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(4-phenylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=C(C=C3)C4=CC=CC=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=C(C=C3)C4=CC=CC=C4)C1

InChI

InChI=1S/C20H20N4S/c21-20(25)24-19-17(8-4-5-13-22-19)18(23-24)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,23H,4-5,8,13H2,(H2,21,25)