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

Systemtic Name: 5-tert-butyl-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(3-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-[3-(methylthio)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(3-methylsulfanylphenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-[3-(methylthio)phenyl]triazole-4-carboxylic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=CC(=CC=C2)SC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=CC(=CC=C2)SC)C(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-14(2,3)12-11(13(18)19)15-16-17(12)9-6-5-7-10(8-9)20-4/h5-8H,1-4H3,(H,18,19)