2,2-dimethyl-1-(6-nitrobenzotriazol-1-yl)propane-1-thione

Systemtic Name: 2,2-dimethyl-1-(6-nitrobenzotriazol-1-yl)propane-1-thione Openeye Name: 2,2-dimethyl-1-(6-nitrobenzotriazol-1-yl)propane-1-thione CAS Name: 2,2-dimethyl-1-(6-nitro-1-benzotriazolyl)-1-propanethione IUPAC Name: 2,2-dimethyl-1-(6-nitrobenzotriazol-1-yl)propane-1-thione Traditional Name: 2,2-dimethyl-1-(6-nitrobenzotriazol-1-yl)propane-1-thione Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c1-11(2,3)10(18)14-9-6-7(15(16)17)4-5-8(9)12-13-14/h4-6H,1-3H3