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3H-1,5-Benzodiazepine, 2-(methylthio)-4-phenyl-
SpectraBase Compound ID LJLjlykW8g7
InChI InChI=1S/C16H14N2S/c1-19-16-11-15(12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)18-16/h2-10H,11H2,1H3
InChIKey ZTKLRYVOHDXCKV-UHFFFAOYSA-N
Mol Weight 266.36 g/mol
Molecular Formula C16H14N2S
Exact Mass 266.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xM0rT5DiS
Name 3H-1,5-Benzodiazepine, 2-(methylthio)-4-phenyl-
CAS Registry Number 50850-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2S
InChI InChI=1S/C16H14N2S/c1-19-16-11-15(12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)18-16/h2-10H,11H2,1H3
InChIKey ZTKLRYVOHDXCKV-UHFFFAOYSA-N
Molecular Weight 266.362 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccccc1
SPLASH splash10-014i-2290000000-b7abd11e17128d041943
Source of Spectrum Y-20-162-2
Synonyms 2-Methylthio-4-phenyl-3H-1,5-benzodiazepine 4-(methylthio)-2-phenyl-3H-1,5-benzodiazepine 4-Methylsulfanyl-2-phenyl-3H-1,5-benzodiazepine Methyl 4-phenyl-3H-1,5-benzodiazepin-2-yl sulfide
Wiley ID 1270289