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

Systemtic Name: 4-[3-[[4-azanyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[[4-amino-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoate Formula: C14H17N4O4S- MolecularWeight: 337.37418

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COCC1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-21-9-12-16-17-14(18(12)15)23-8-2-7-22-11-5-3-10(4-6-11)13(19)20/h3-6H,2,7-9,15H2,1H3,(H,19,20)/p-1