4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazole-3-thiolate Formula: C20H18N5O3S- MolecularWeight: 408.45362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3C4=C(C=CC(=C4)OC)OC)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3C4=C(C=CC(=C4)OC)OC)[S-]

InChI

InChI=1S/C20H19N5O3S/c1-26-13-6-4-12(5-7-13)15-11-16(22-21-15)19-23-24-20(29)25(19)17-10-14(27-2)8-9-18(17)28-3/h4-11H,1-3H3,(H,21,22)(H,24,29)/p-1