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

Systemtic Name: 2-[[4-azanyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c13-16-10(14-15-12(16)20-8-11(17)18)6-7-19-9-4-2-1-3-5-9/h1-5H,6-8,13H2,(H,17,18)/p-1