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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

InChI

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