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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C9H11N4O3S- MolecularWeight: 255.27364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC(=O)N)SCC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2CC(=O)N)SCC(=O)[O-]

InChI

InChI=1S/C9H12N4O3S/c10-6(14)3-13-8(5-1-2-5)11-12-9(13)17-4-7(15)16/h5H,1-4H2,(H2,10,14)(H,15,16)/p-1