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

Systemtic Name: 3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-benzyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=S)N)CC3=CC=CC=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=S)N)CC3=CC=CC=C3)C1

InChI

InChI=1S/C15H18N4S/c16-15(20)19-14-12(8-4-5-9-17-14)13(18-19)10-11-6-2-1-3-7-11/h1-3,6-7,18H,4-5,8-10H2,(H2,16,20)