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

Systemtic Name: 2-[[4-(2-acetamidoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-acetamidoethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-acetamidoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-acetamidoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-acetamidoethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(=O)NCCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H14N4O3S2/c1-8(17)13-4-5-16-11(9-3-2-6-20-9)14-15-12(16)21-7-10(18)19/h2-3,6H,4-5,7H2,1H3,(H,13,17)(H,18,19)