1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione

Systemtic Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione Openeye Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione CAS Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione IUPAC Name: 1-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]azepine-8-thione Traditional Name: 1-phenyl-4,5,6,7-tetrahydropyrazol[3,4-c]azepine-8-thione Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3S/c17-13-12-10(5-4-8-14-13)9-15-16(12)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,14,17)