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

Systemtic Name: 5-ethyl-1-(4-methylsulfanylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(4-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-[4-(methylthio)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(4-methylsulfanylphenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-[4-(methylthio)phenyl]triazole-4-carboxylic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-3-10-11(12(16)17)13-14-15(10)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,16,17)