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

Systemtic Name: 2-[[4-(4-aminocarbonylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)O

InChI

InChI=1S/C13H14N4O3S/c1-2-10-15-16-13(21-7-11(18)19)17(10)9-5-3-8(4-6-9)12(14)20/h3-6H,2,7H2,1H3,(H2,14,20)(H,18,19)