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

Systemtic Name: 5-cyclopropyl-1-(2-methylsulfanylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-[2-(methylthio)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-[2-(methylthio)phenyl]triazole-4-carboxylic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=C(N=N2)C(=O)O)C3CC3

Isomeric SMILES

CSC1=CC=CC=C1N2C(=C(N=N2)C(=O)O)C3CC3

InChI

InChI=1S/C13H13N3O2S/c1-19-10-5-3-2-4-9(10)16-12(8-6-7-8)11(13(17)18)14-15-16/h2-5,8H,6-7H2,1H3,(H,17,18)