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

Systemtic Name: 2-[[5-methyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H12N3O2S2- MolecularWeight: 282.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCC2=CC=CS2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CCC2=CC=CS2)SCC(=O)[O-]

InChI

InChI=1S/C11H13N3O2S2/c1-8-12-13-11(18-7-10(15)16)14(8)5-4-9-3-2-6-17-9/h2-3,6H,4-5,7H2,1H3,(H,15,16)/p-1