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

Systemtic Name: 1-(6-nitrobenzotriazol-1-yl)hexane-1-thione Openeye Name: 1-(6-nitrobenzotriazol-1-yl)hexane-1-thione CAS Name: 1-(6-nitro-1-benzotriazolyl)-1-hexanethione IUPAC Name: 1-(6-nitrobenzotriazol-1-yl)hexane-1-thione Traditional Name: 1-(6-nitrobenzotriazol-1-yl)hexane-1-thione Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-2-3-4-5-12(19)15-11-8-9(16(17)18)6-7-10(11)13-14-15/h6-8H,2-5H2,1H3