5-(3,5-dimethoxyphenyl)-4-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3,5-dimethoxyphenyl)-4-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-(3,5-dimethoxyphenyl)-4-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3,5-dimethoxyphenyl)-4-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3,5-dimethoxyphenyl)-4-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,5-dimethoxyphenyl)-4-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C15H13N4O2S- MolecularWeight: 313.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CN=CC=C3)[S-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CN=CC=C3)[S-])OC

InChI

InChI=1S/C15H14N4O2S/c1-20-12-6-10(7-13(8-12)21-2)14-17-18-15(22)19(14)11-4-3-5-16-9-11/h3-9H,1-2H3,(H,18,22)/p-1