1-(6-nitrobenzotriazol-1-yl)propane-1-thione

Systemtic Name: 1-(6-nitrobenzotriazol-1-yl)propane-1-thione Openeye Name: 1-(6-nitrobenzotriazol-1-yl)propane-1-thione CAS Name: 1-(6-nitro-1-benzotriazolyl)-1-propanethione IUPAC Name: 1-(6-nitrobenzotriazol-1-yl)propane-1-thione Traditional Name: 1-(6-nitrobenzotriazol-1-yl)propane-1-thione Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

Isomeric SMILES

CCC(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

InChI

InChI=1S/C9H8N4O2S/c1-2-9(16)12-8-5-6(13(14)15)3-4-7(8)10-11-12/h3-5H,2H2,1H3