2-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-4-chloro-6-nitro-phenolate Formula: C13H13ClN5O3S- MolecularWeight: 354.79202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN5O3S/c1-13(2,3)11-16-17-12(23)18(11)15-6-7-4-8(14)5-9(10(7)20)19(21)22/h4-6,20H,1-3H3,(H,17,23)/p-1/b15-6-