3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(1-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C18H18N4S MolecularWeight: 322.42732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC4=CC=CC=C43)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC=CC4=CC=CC=C43)C1

InChI

InChI=1S/C18H18N4S/c19-18(23)22-17-15(9-3-4-11-20-17)16(21-22)14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,21H,3-4,9,11H2,(H2,19,23)