6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: 6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[5-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C2=CC(=CC(=C2)OC)OC)C3=NC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=N1)C2=CC(=CC(=C2)OC)OC)C3=NC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H16N4O5S/c1-10-18-16(11-6-12(24-2)8-13(7-11)25-3)20(19-10)15-5-4-14(9-17-15)26(21,22)23/h4-9H,1-3H3,(H,21,22,23)