2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C7H8N3O2S- MolecularWeight: 198.22232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C7H9N3O2S/c11-5(12)3-13-7-8-6(9-10-7)4-1-2-4/h4H,1-3H2,(H,11,12)(H,8,9,10)/p-1