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

Systemtic Name: 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)pyridine-3-sulfonic acid Openeye Name: 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)pyridine-3-sulfonic acid CAS Name: 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-3-pyridinesulfonic acid IUPAC Name: 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)pyridine-3-sulfonic acid Traditional Name: 6-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)pyridine-3-sulfonic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-10-16-14(11-5-3-2-4-6-11)18(17-10)13-8-7-12(9-15-13)22(19,20)21/h2-9H,1H3,(H,19,20,21)