2-[[4-azanyl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[3-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[3-(2-thienyl)propyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H13N4O2S2- MolecularWeight: 297.37652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCCC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C11H14N4O2S2/c12-15-9(5-1-3-8-4-2-6-18-8)13-14-11(15)19-7-10(16)17/h2,4,6H,1,3,5,7,12H2,(H,16,17)/p-1