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5-Propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
SpectraBase Compound ID IEHm4iEtK2c
InChI InChI=1S/C12H12N4S/c1-2-7-16-9-6-4-3-5-8(9)10-11(16)13-12(17)15-14-10/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKey VKBHDEMYBUCXJW-UHFFFAOYSA-N
Mol Weight 244.32 g/mol
Molecular Formula C12H12N4S
Exact Mass 244.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMpOYTSCwF5
Name 5-Propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Registry Number 36047-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4S
InChI InChI=1S/C12H12N4S/c1-2-7-16-9-6-4-3-5-8(9)10-11(16)13-12(17)15-14-10/h3-6H,2,7H2,1H3,(H,13,15,17)
InChIKey VKBHDEMYBUCXJW-UHFFFAOYSA-N
Molecular Weight 244.316 g/mol
SMILES Sc1nc2[n](c3ccccc3c2nn1)CCC
SPLASH splash10-0006-5940000000-5285f2f832823e7d9888
Synonyms 5-Propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione 5-Propyl-2H-[1,2,4]triazin[5,6-b]indole-3-thione 5-Propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide 5H-1,2,4-Triazino[5,6-b]indole-3-thiol, 5-propyl-
Wiley ID 1456114