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

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetate Formula: C7H10N3O2S- MolecularWeight: 200.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)[O-]

InChI

InChI=1S/C7H11N3O2S/c1-4(2)6-8-7(10-9-6)13-3-5(11)12/h4H,3H2,1-2H3,(H,11,12)(H,8,9,10)/p-1