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

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(4-bromophenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(4-bromophenyl)thio]ethyl]triazole-4-carboxylic acid Formula: C11H10BrN3O2S MolecularWeight: 328.185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCN2C=C(N=N2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCCN2C=C(N=N2)C(=O)O)Br

InChI

InChI=1S/C11H10BrN3O2S/c12-8-1-3-9(4-2-8)18-6-5-15-7-10(11(16)17)13-14-15/h1-4,7H,5-6H2,(H,16,17)