5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate CAS Name: 5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-3-thiolate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NN2)[S-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NC(=NN2)[S-]

InChI

InChI=1S/C14H19N3O3S/c1-4-18-10-7-9(13-15-14(21)17-16-13)8-11(19-5-2)12(10)20-6-3/h7-8H,4-6H2,1-3H3,(H2,15,16,17,21)/p-1