1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazole-5-thiolate

Systemtic Name: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazole-5-thiolate Openeye Name: 1-(3,4-dimethoxyphenyl)tetrazole-5-thiolate CAS Name: 1-(3,4-dimethoxyphenyl)-5-tetrazolethiolate IUPAC Name: 1-(3,4-dimethoxyphenyl)tetrazole-5-thiolate Traditional Name: 1-(3,4-dimethoxyphenyl)tetrazole-5-thiolate Formula: C9H9N4O2S- MolecularWeight: 237.25836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=N2)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=N2)[S-])OC

InChI

InChI=1S/C9H10N4O2S/c1-14-7-4-3-6(5-8(7)15-2)13-9(16)10-11-12-13/h3-5H,1-2H3,(H,10,12,16)/p-1