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

*Links on SpectraBase are not permalinks.
3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID B2gBTUClZKq
InChI InChI=1S/C20H15ClN4O2S/c1-2-7-25-15-6-4-3-5-13(15)18-19(25)22-20(24-23-18)28-10-12-8-16-17(9-14(12)21)27-11-26-16/h2-6,8-9H,1,7,10-11H2
InChIKey IZKDHIMSZDRSDG-UHFFFAOYSA-N
Mol Weight 410.88 g/mol
Molecular Formula C20H15ClN4O2S
Exact Mass 410.060425 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 GNgahn2Y8Kz
Name 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN4O2S
InChI InChI=1S/C20H15ClN4O2S/c1-2-7-25-15-6-4-3-5-13(15)18-19(25)22-20(24-23-18)28-10-12-8-16-17(9-14(12)21)27-11-26-16/h2-6,8-9H,1,7,10-11H2
InChIKey IZKDHIMSZDRSDG-UHFFFAOYSA-N
Molecular Weight 410.879 g/mol
SMILES c12c(c3ccccc3[n]2CC=C)nnc(n1)SCc1c(cc2c(c1)OCO2)Cl
SPLASH splash10-004i-4904000000-d05795ae658f284da5c2
Synonyms 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole 5-Allyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-[1,2,4]triazin[5,6-b]indole
Wiley ID 1460389