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

*Links on SpectraBase are not permalinks.
2-Butylamino-1-(4-chlorophenyl)-benzo[4,5]thieno[3,2-d]-[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
SpectraBase Compound ID GEOqh5Q96qT
InChI InChI=1S/C21H18ClN5OS/c1-2-3-12-23-20-25-27-19(28)18-17(15-6-4-5-7-16(15)29-18)24-21(27)26(20)14-10-8-13(22)9-11-14/h4-11H,2-3,12H2,1H3,(H,23,25)
InChIKey BBEQHEFKVDHXIA-UHFFFAOYSA-N
Mol Weight 423.92 g/mol
Molecular Formula C21H18ClN5OS
Exact Mass 423.092059 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 AlkJnZaT3Oj
Name 2-Butylamino-1-(4-chlorophenyl)-benzo[4,5]thieno[3,2-d]-[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
Alternate Name(s) 2-Butylamino-3-(4-chloro-phenyl)-3H-9-thia-1,3,4,10a-tetraaza-cyclopenta[b]fluoren-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN5OS
InChI InChI=1S/C21H18ClN5OS/c1-2-3-12-23-20-25-27-19(28)18-17(15-6-4-5-7-16(15)29-18)24-21(27)26(20)14-10-8-13(22)9-11-14/h4-11H,2-3,12H2,1H3,(H,23,25)
InChIKey BBEQHEFKVDHXIA-UHFFFAOYSA-N
Molecular Weight 423.922 g/mol
SMILES N(C1=NN2C(N1c1ccc(cc1)Cl)=Nc1c(C2=O)sc2ccccc12)CCCC
SPLASH splash10-004j-6770900000-dac0c19dc5aa6670c508
Source of Spectrum Y-46-907-7j
Wiley ID 1666852