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

Systemtic Name: 3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4S/c23-22(27)26-21-18(13-7-8-14-24-21)20(25-26)15-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19,25H,7-8,13-15H2,(H2,23,27)