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

Systemtic Name: 6-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: 6-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4S/c1-10-17-15(11-3-5-12(23-2)6-4-11)19(18-10)14-8-7-13(9-16-14)24(20,21)22/h3-9H,1-2H3,(H,20,21,22)