1-[2-(4-tert-butylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-tert-butylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-tert-butylphenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(4-tert-butylphenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-tert-butylphenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(4-tert-butylphenyl)thio]ethyl]triazole-4-carboxylic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C15H19N3O2S/c1-15(2,3)11-4-6-12(7-5-11)21-9-8-18-10-13(14(19)20)16-17-18/h4-7,10H,8-9H2,1-3H3,(H,19,20)