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

Systemtic Name: 4-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chlorophenyl)-5-veratryl-1,2,4-triazole-3-thiolate Formula: C17H15ClN3O2S- MolecularWeight: 360.8379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S/c1-22-14-8-3-11(9-15(14)23-2)10-16-19-20-17(24)21(16)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,20,24)/p-1