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

Systemtic Name: 1-(2-methylsulfanylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-methylsulfanylphenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-[2-(methylthio)phenyl]-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(2-methylsulfanylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-[2-(methylthio)phenyl]-5-propyl-triazole-4-carboxylic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-3-6-10-12(13(17)18)14-15-16(10)9-7-4-5-8-11(9)19-2/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)