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

Systemtic Name: 4-[2-[[4-azanyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate Formula: C13H15N4O4S- MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-20-8-11-15-16-13(17(11)14)22-7-6-21-10-4-2-9(3-5-10)12(18)19/h2-5H,6-8,14H2,1H3,(H,18,19)/p-1