1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-thione

Systemtic Name: 1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-thione Openeye Name: 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-thione CAS Name: 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-thione IUPAC Name: 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-thione Traditional Name: 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-thione Formula: C7H5N3OS MolecularWeight: 179.1991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=S)N[N+](=C2C=C1)[O-]

Isomeric SMILES

C1=CC2=NC(=S)N[N+](=C2C=C1)[O-]

InChI

InChI=1S/C7H5N3OS/c11-10-6-4-2-1-3-5(6)8-7(12)9-10/h1-4H,(H,8,9,12)