3-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(2-furyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-furyl)-4-propyl-1,2,4-triazol-3-yl]thio]propionate Formula: C12H14N3O3S- MolecularWeight: 280.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCC(=O)[O-])C2=CC=CO2

Isomeric SMILES

CCCN1C(=NN=C1SCCC(=O)[O-])C2=CC=CO2

InChI

InChI=1S/C12H15N3O3S/c1-2-6-15-11(9-4-3-7-18-9)13-14-12(15)19-8-5-10(16)17/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)/p-1