2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]ethanoate

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]ethanoate Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]acetate CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]acetate IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]acetate Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfonyl]acetate Formula: C10H8N3O4S- MolecularWeight: 266.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C10H9N3O4S/c14-9(15)6-18(16,17)10-12-11-7-13(10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)/p-1