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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2S/c1-3-11-15-16-13(20-7-12(18)19)17(11)10-6-9(14)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,18,19)