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3-Benzoyl-5-benzylamino-2,3-dihydro-[1,3,4]-thiadiazol-2,2-dicarbonitrile
SpectraBase Compound ID 7lilcMN6SNL
InChI InChI=1S/C18H13N5OS/c19-12-18(13-20)23(16(24)15-9-5-2-6-10-15)22-17(25-18)21-11-14-7-3-1-4-8-14/h1-10H,11H2,(H,21,22)
InChIKey QILDAIVNAUQMKL-UHFFFAOYSA-N
Mol Weight 347.4 g/mol
Molecular Formula C18H13N5OS
Exact Mass 347.084081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fxiH4jZEdg
Name 3-Benzoyl-5-benzylamino-2,3-dihydro-[1,3,4]-thiadiazol-2,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N5OS
InChI InChI=1S/C18H13N5OS/c19-12-18(13-20)23(16(24)15-9-5-2-6-10-15)22-17(25-18)21-11-14-7-3-1-4-8-14/h1-10H,11H2,(H,21,22)
InChIKey QILDAIVNAUQMKL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20071
Molecular Weight 347.396 g/mol
SMILES N(C=1SC(C#N)(C#N)N(C(=O)c2ccccc2)N1)Cc1ccccc1
SPLASH splash10-0ar0-6900000000-220772d2d02d7f9cffe8
Source of Spectrum HAC-16-18-13a
Synonyms 3-Benzoyl-5-(benzylamino)-1,3,4-thiadiazole-2,2(3H)-dicarbonitrile
Wiley ID 1783502