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5H-1,2,4-Triazino[5,6-b]indole, 3-(3-methylbenzylthio)-
SpectraBase Compound ID CgPOHUfqax8
InChI InChI=1S/C17H14N4S/c1-11-5-4-6-12(9-11)10-22-17-19-16-15(20-21-17)13-7-2-3-8-14(13)18-16/h2-9H,10H2,1H3,(H,18,19,21)
InChIKey NQBHBHKGULKZOM-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 K3mHNt80sXr
Name 5H-1,2,4-Triazino[5,6-b]indole, 3-(3-methylbenzylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4S
InChI InChI=1S/C17H14N4S/c1-11-5-4-6-12(9-11)10-22-17-19-16-15(20-21-17)13-7-2-3-8-14(13)18-16/h2-9H,10H2,1H3,(H,18,19,21)
InChIKey NQBHBHKGULKZOM-UHFFFAOYSA-N
Molecular Weight 306.387 g/mol
SMILES [nH]1c2ccccc2c2c1nc(nn2)SCc1cc(C)ccc1
SPLASH splash10-05fr-3932000000-1d202ca63dd05b677b1f
Synonyms 3-(m-tolylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole 3-Methylbenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide 3-[(3-methylbenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole 3-[(3-methylbenzyl)thio]-5H-[1,2,4]triazin[5,6-b]indole 3-[(3-methylphenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole 3-[(3-methylphenyl)methylthio]-5H-[1,2,4]triazino[5,6-b]indole
Wiley ID 1455660