For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID L5Nc1TkxDbX
InChI InChI=1S/C19H15ClF3N5OS/c1-2-8-28-17(12-4-3-7-24-10-12)26-27-18(28)30-11-16(29)25-15-9-13(19(21,22)23)5-6-14(15)20/h2-7,9-10H,1,8,11H2,(H,25,29)
InChIKey NYRDAIFGWDDZKC-UHFFFAOYSA-N
Mol Weight 453.87 g/mol
Molecular Formula C19H15ClF3N5OS
Exact Mass 453.063793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8X26HaUmbBx
Name 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClF3N5OS
InChI InChI=1S/C19H15ClF3N5OS/c1-2-8-28-17(12-4-3-7-24-10-12)26-27-18(28)30-11-16(29)25-15-9-13(19(21,22)23)5-6-14(15)20/h2-7,9-10H,1,8,11H2,(H,25,29)
InChIKey NYRDAIFGWDDZKC-UHFFFAOYSA-N
Molecular Weight 453.871 g/mol
SMILES N(c1cc(C(F)(F)F)ccc1Cl)C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O
SPLASH splash10-052u-7940000000-6afda9901df9d348be98
Synonyms 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1462168