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

Systemtic Name: 1-[2-(2-nitrophenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-nitrophenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(2-nitrophenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-nitrophenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(2-nitrophenyl)thio]ethyl]triazole-4-carboxylic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C11H10N4O4S/c16-11(17)8-7-14(13-12-8)5-6-20-10-4-2-1-3-9(10)15(18)19/h1-4,7H,5-6H2,(H,16,17)