5-methyl-1-(2-methylsulfanylphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-(2-methylsulfanylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 5-methyl-1-[2-(methylthio)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid Traditional Name: 5-methyl-1-[2-(methylthio)phenyl]triazole-4-carboxylic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-7-10(11(15)16)12-13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16)