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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-phenoxyphenyl)-5-veratryl-1,2,4-triazole-3-thiolate Formula: C23H20N3O3S- MolecularWeight: 418.4882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)[S-])OC

InChI

InChI=1S/C23H21N3O3S/c1-27-20-13-8-16(14-21(20)28-2)15-22-24-25-23(30)26(22)17-9-11-19(12-10-17)29-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,30)/p-1