1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione

Systemtic Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione Openeye Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione CAS Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione IUPAC Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione Traditional Name: 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazol[3,4-c]azepine-8-thione Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=S)NC1)N(N=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC2=C(C(=S)NC1)N(N=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN3S/c14-10-3-5-11(6-4-10)17-12-9(8-16-17)2-1-7-15-13(12)18/h3-6,8H,1-2,7H2,(H,15,18)