3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C14H14N3O5S- MolecularWeight: 336.34306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O5S/c1-17-12(15-16-14(17)23-5-4-13(18)19)7-20-9-2-3-10-11(6-9)22-8-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)/p-1