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

Systemtic Name: 2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O3S/c1-6(13)9-2-3-12-5-10-11-8(12)16-4-7(14)15/h5H,2-4H2,1H3,(H,9,13)(H,14,15)