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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)O

InChI

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