4-[[4-(3-methoxypropyl)-5-oxidanidyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-(3-methoxypropyl)-5-oxidanidyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(3-methoxypropyl)-5-oxido-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(3-methoxypropyl)-5-oxido-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-(3-methoxypropyl)-5-oxido-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(3-methoxypropyl)-5-oxido-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C14H15N3O4S-2 MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C14H17N3O4S/c1-21-8-2-7-17-13(20)15-16-14(17)22-9-10-3-5-11(6-4-10)12(18)19/h3-6H,2,7-9H2,1H3,(H,15,20)(H,18,19)/p-2