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

Systemtic Name: 2-[[5-cyclopropyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(2-methoxy-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(2-keto-2-methoxy-ethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H12N3O4S- MolecularWeight: 270.28498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCC(=O)[O-])C2CC2

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCC(=O)[O-])C2CC2

InChI

InChI=1S/C10H13N3O4S/c1-17-8(16)4-13-9(6-2-3-6)11-12-10(13)18-5-7(14)15/h6H,2-5H2,1H3,(H,14,15)/p-1