2-[[5-ethyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-[1-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-[1-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C12H15N3O2S2/c1-3-10-13-14-12(19-7-11(16)17)15(10)8(2)9-5-4-6-18-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)