4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid

CAS Registry Number®

937605-30-6
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CAS Name

4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid

Molecular Formula

C16H13N3O3S

Molecular Mass

327.36

Cite this Page

4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=937605-30-6 (retrieved 2024-09-11) (CAS RN: 937605-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13N3O3S/c20-15(21)11-6-8-13(9-7-11)22-10-14-17-18-16(23)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,23)(H,20,21)

InChIKey

InChIKey=IQKUFWFXCICUBV-UHFFFAOYSA-N

SMILES

C(OC1=CC=C(C(O)=O)C=C1)C=2N(C(=S)NN2)C3=CC=CC=C3

Canonical SMILES

O=C(O)C1=CC=C(OCC2=NNC(=S)N2C=3C=CC=CC3)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[(4,5-dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-
  • 4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid