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

Systemtic Name: 2-[[4-azanyl-5-(2-bromanyl-5-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-bromo-5-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-bromo-5-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2-bromo-5-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-bromo-5-methoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H10BrN4O3S- MolecularWeight: 358.1911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C11H11BrN4O3S/c1-19-6-2-3-8(12)7(4-6)10-14-15-11(16(10)13)20-5-9(17)18/h2-4H,5,13H2,1H3,(H,17,18)/p-1