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3-(Methylsulfanyl)-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
SpectraBase Compound ID AkmIrhZl6tT
InChI InChI=1S/C18H16N4S/c1-23-18-19-17-16(20-21-18)14-9-5-6-10-15(14)22(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKey DTTDVOXGZPVSPR-UHFFFAOYSA-N
Mol Weight 320.41 g/mol
Molecular Formula C18H16N4S
Exact Mass 320.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WXM5OHBiIF
Name 3-(Methylsulfanyl)-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
CAS Registry Number 312537-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4S
InChI InChI=1S/C18H16N4S/c1-23-18-19-17-16(20-21-18)14-9-5-6-10-15(14)22(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKey DTTDVOXGZPVSPR-UHFFFAOYSA-N
Molecular Weight 320.414 g/mol
SMILES c12c(c3ccccc3[n]2CCc2ccccc2)nnc(n1)SC
SPLASH splash10-002f-7952000000-37f0a439093ca35a165b
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazino[5,6-b]indole, 3-methylthio-5-(2-phenylethyl)- 3-(methylthio)-5-phenethyl-[1,2,4]triazin[5,6-b]indole 3-Methylsulfanyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole 3-(methylthio)-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indole
Wiley ID 1428044