3-[[4-azanyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-azanyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-19-6-10-14-15-12(16(10)13)20-7-8-3-2-4-9(5-8)11(17)18/h2-5H,6-7,13H2,1H3,(H,17,18)/p-1