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

Systemtic Name: 2-[[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-4-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-methyl-4-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C10H11N3O2S2/c1-7-11-12-10(17-6-9(14)15)13(7)5-8-3-2-4-16-8/h2-4H,5-6H2,1H3,(H,14,15)