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5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
SpectraBase Compound ID 2CXD4FW3g48
InChI InChI=1S/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)
InChIKey JZMKJONDRDUVGT-UHFFFAOYSA-N
Mol Weight 306.39 g/mol
Molecular Formula C17H14N4S
Exact Mass 306.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fF8kytsBrn
Name 5-(2-Phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
CAS Registry Number 36047-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4S
InChI InChI=1S/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)
InChIKey JZMKJONDRDUVGT-UHFFFAOYSA-N
Molecular Weight 306.387 g/mol
SMILES Sc1nc2c(c3ccccc3[n]2CCc2ccccc2)nn1
SPLASH splash10-0zfu-8962000000-f00a0a5f74b42462fc63
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazino[5,6-b]indole-3-thiol, 5-(2-phenylethyl)- 5-(2-Phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol 5-Phenethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione 5-Phenethyl-2H-[1,2,4]triazin[5,6-b]indole-3-thione
Wiley ID 1427490