1-[2-(4-propan-2-ylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-isopropylphenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(4-propan-2-ylphenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(p-cumenylthio)ethyl]triazole-4-carboxylic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-10(2)11-3-5-12(6-4-11)20-8-7-17-9-13(14(18)19)15-16-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)