4-(4-Bromophenyl)-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide

SpectraBase Compound ID	2AjDSHQv8FH
InChI	InChI=1S/C17H15BrN6OS2/c18-12-6-8-13(9-7-12)20-16(26)22-21-15(25)10-27-17-23-19-11-24(17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,25)(H2,20,22,26)
InChIKey	XOQFLYDXCRMJOS-UHFFFAOYSA-N Google Search
Mol Weight	463.37 g/mol
Molecular Formula	C17H15BrN6OS2
Exact Mass	461.993214 g/mol

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SpectraBase Spectrum ID	38vTc3lx0Tb
Name	4-(4-Bromophenyl)-1-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}thiosemicarbazide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H15BrN6OS2
InChI	InChI=1S/C17H15BrN6OS2/c18-12-6-8-13(9-7-12)20-16(26)22-21-15(25)10-27-17-23-19-11-24(17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,21,25)(H2,20,22,26)
InChIKey	XOQFLYDXCRMJOS-UHFFFAOYSA-N
Molecular Weight	463.372 g/mol
SMILES	N(NC(Nc1ccc(cc1)Br)=S)C(CSc1[n](cnn1)-c1ccccc1)=O
SPLASH	splash10-01t9-3940000000-7d9ad2e422495181d920
Source of Spectrum	Y-48-343-3f
Synonyms	1-(4-bromophenyl)-3-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]thiourea 1-(4-bromophenyl)-3-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea 1-(4-bromophenyl)-3-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiourea
Wiley ID	1667685