5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-veratryl-1H-1,2,4-triazole-3-thiolate Formula: C11H12N3O2S- MolecularWeight: 250.29688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=NN2)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=NN2)[S-])OC

InChI

InChI=1S/C11H13N3O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-12-11(17)14-13-10/h3-5H,6H2,1-2H3,(H2,12,13,14,17)/p-1