2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoic acid

Systemtic Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoic acid Openeye Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid CAS Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetic acid IUPAC Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetic acid Traditional Name: 2-phenyl-2-(1H-1,2,4-triazol-5-ylthio)acetic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=NN2

InChI

InChI=1S/C10H9N3O2S/c14-9(15)8(7-4-2-1-3-5-7)16-10-11-6-12-13-10/h1-6,8H,(H,14,15)(H,11,12,13)