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

Systemtic Name: 3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4S/c15-14(19)18-13-11(8-4-5-9-16-13)12(17-18)10-6-2-1-3-7-10/h1-3,6-7,17H,4-5,8-9H2,(H2,15,19)