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4H-1,2,4-triazol-3-amine, 4-(phenylmethyl)-5-[(phenylmethyl)thio]-
SpectraBase Compound ID 9sNwpenVw4v
InChI InChI=1S/C16H16N4S/c17-15-18-19-16(21-12-14-9-5-2-6-10-14)20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18)
InChIKey NBJAHBAFBRWCTG-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2WVZ0PK1ft
Name 4H-1,2,4-triazol-3-amine, 4-(phenylmethyl)-5-[(phenylmethyl)thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c17-15-18-19-16(21-12-14-9-5-2-6-10-14)20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18)
InChIKey NBJAHBAFBRWCTG-UHFFFAOYSA-N
Molecular Weight 296.392 g/mol
SMILES Nc1nnc(SCc2ccccc2)[n]1Cc1ccccc1
SPLASH splash10-0006-9110000000-d9101adb4354034f8f60
Source of Spectrum JX-2015-2-1488
Synonyms 4-Benzyl-5-(benzylthio)-4H-1,2,4-triazol-3-amine 4-Benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-amine 4-(Phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-amine 4-Benzyl-5-benzylsulfanyl-1,2,4-triazol-3-amine 4-(Phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine
Wiley ID 1723128