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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)C3=CC4=CC=CC=C4C=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)C3=CC4=CC=CC=C4C=C3)C1

InChI

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