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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-veratryl-1,2,4-triazole-3-thiolate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])OC

InChI

InChI=1S/C17H17N3O2S/c1-21-14-9-8-12(10-15(14)22-2)11-16-18-19-17(23)20(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,23)/p-1