4-[[[1-(5-Chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]phenyl thiocyanate

CAS Registry Number®

904815-15-2
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CAS Name

4-[[[1-(5-Chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]phenyl thiocyanate

Molecular Formula

C18H14ClN5OS

Molecular Mass

383.85

Cite this Page

4-[[[1-(5-Chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]phenyl thiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=904815-15-2 (retrieved 2024-09-09) (CAS RN: 904815-15-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H14ClN5OS/c1-11-3-4-13(19)9-16(11)24-12(2)17(22-23-24)18(25)21-14-5-7-15(8-6-14)26-10-20/h3-9H,1-2H3,(H,21,25)

InChIKey

InChIKey=DMPOFELGDNDEHW-UHFFFAOYSA-N

SMILES

CC=1N(N=NC1C(NC2=CC=C(SC#N)C=C2)=O)C3=C(C)C=CC(Cl)=C3

Canonical SMILES

N#CSC1=CC=C(C=C1)NC(=O)C=2N=NN(C3=CC(Cl)=CC=C3C)C2C

Other Names for this Substance

  • Thiocyanic acid, 4-[[[1-(5-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]phenyl ester
  • 4-[[[1-(5-Chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]phenyl thiocyanate