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

Systemtic Name: 6-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: 6-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4O3S/c1-9-17-14(10-2-4-11(15)5-3-10)19(18-9)13-7-6-12(8-16-13)23(20,21)22/h2-8H,1H3,(H,20,21,22)