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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3

InChI

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