4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid

CAS Registry Number®

793727-84-1
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CAS Name

4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid

Molecular Formula

C15H18ClN3O2S

Molecular Mass

339.84

Cite this Page

4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=793727-84-1 (retrieved 2024-08-27) (CAS RN: 793727-84-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18ClN3O2S/c1-2-3-9-18-14(11-4-6-12(16)7-5-11)17-19(15(18)22)10-8-13(20)21/h4-7H,2-3,8-10H2,1H3,(H,20,21)

InChIKey

InChIKey=OVLBOIPEWYCAOH-UHFFFAOYSA-N

SMILES

C(CCC)N1C(=NN(CCC(O)=O)C1=S)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)CCN1N=C(C=2C=CC(Cl)=CC2)N(C1=S)CCCC

Other Names for this Substance

  • 1H-1,2,4-Triazole-1-propanoic acid, 4-butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-
  • 4-Butyl-3-(4-chlorophenyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-1-propanoic acid