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

Systemtic Name: 2-[[5-ethyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2=CC=CS2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C11H13N3O2S2/c1-2-9-12-13-11(18-7-10(15)16)14(9)6-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,15,16)