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

Systemtic Name: 3-(diphenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-benzhydryl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(diphenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-benzhydryl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-benzhydryl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4S/c22-21(26)25-20-17(13-7-8-14-23-20)19(24-25)18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,18,24H,7-8,13-14H2,(H2,22,26)