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

Systemtic Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-isopropyl-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)N1C=NN=C1SCC(=O)[O-]

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)[O-]

InChI

InChI=1S/C7H11N3O2S/c1-5(2)10-4-8-9-7(10)13-3-6(11)12/h4-5H,3H2,1-2H3,(H,11,12)/p-1