2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h3-7H,2,8H2,1H3,(H,16,17)/p-1