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1,3,5,2,4,6-Trithia(3-SIV)triazepine, urea deriv.
SpectraBase Compound ID 9nehVZa7mF
InChI InChI=1S/C9H9N5OS3/c15-8(10-6-7-4-2-1-3-5-7)11-9-12-17-14-18-13-16-9/h1-5H,6H2,(H2,10,11,12,15)
InChIKey TXKYPLITZHMEEH-UHFFFAOYSA-N
Mol Weight 299.38 g/mol
Molecular Formula C9H9N5OS3
Exact Mass 298.996923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsQDbquRFYB
Name 1,3,5,2,4,6-Trithia(3-SIV)triazepine, urea deriv.
CAS Registry Number 124613-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5OS3
InChI InChI=1S/C9H9N5OS3/c15-8(10-6-7-4-2-1-3-5-7)11-9-12-17-14-18-13-16-9/h1-5H,6H2,(H2,10,11,12,15)
InChIKey TXKYPLITZHMEEH-UHFFFAOYSA-N
Molecular Weight 299.385 g/mol
SMILES N(C=1SN=S=NSN1)C(NCc1ccccc1)=O
SPLASH splash10-054p-9600000000-fca0ba87bfada4a83d9c
Source of Spectrum KC-1989-1408-7
Synonyms Urea, N-(phenylmethyl)-N'-1,3,5,2,4,6-trithia(3-SIV)triazepin-7-yl- 3-Benzyl-1-(1,3,5,2,4,6-trithiatriazepin-7-yl)urea N-Benzyl-N'-1,3,5,2,4,6-trithiatriazepin-7-ylurea
Wiley ID 1301694