cis-3,6-Bis[4-(4-(4-phenyl-5-mercapto-1,2,4-triazol-3-ylmethoxy)benzyl]piperazine-2,5-dione

SpectraBase Compound ID	3R0o9gDOHui
InChI	InChI=1S/C36H32N8O4S2/c45-33-29(19-23-11-15-27(16-12-23)47-21-31-39-41-35(49)43(31)25-7-3-1-4-8-25)37-34(46)30(38-33)20-24-13-17-28(18-14-24)48-22-32-40-42-36(50)44(32)26-9-5-2-6-10-26/h1-18,29-30H,19-22H2,(H,37,46)(H,38,45)(H,41,49)(H,42,50)/t29-,30-/m0/s1
InChIKey	JTUMMTMMCLEQPO-KYJUHHDHSA-N Google Search
Mol Weight	704.8 g/mol
Molecular Formula	C36H32N8O4S2
Exact Mass	704.198794 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	FYC9EK5cHZl
Name	cis-3,6-Bis[4-(4-(4-phenyl-5-mercapto-1,2,4-triazol-3-ylmethoxy)benzyl]piperazine-2,5-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H32N8O4S2
InChI	InChI=1S/C36H32N8O4S2/c45-33-29(19-23-11-15-27(16-12-23)47-21-31-39-41-35(49)43(31)25-7-3-1-4-8-25)37-34(46)30(38-33)20-24-13-17-28(18-14-24)48-22-32-40-42-36(50)44(32)26-9-5-2-6-10-26/h1-18,29-30H,19-22H2,(H,37,46)(H,38,45)(H,41,49)(H,42,50)/t29-,30-/m0/s1
InChIKey	JTUMMTMMCLEQPO-KYJUHHDHSA-N
Molecular Weight	704.824 g/mol
SMILES	N1N=C(COc2ccc(C[C@]3(C(N[C@](Cc4ccc(OCC5=NNC(N5c5ccccc5)=S)cc4)([H])C(N3)=O)=O)[H])cc2)N(C1=S)c1ccccc1
SPLASH	splash10-001u-0951000100-7d0e9bc0e570b7787c9d
Source of Spectrum	Y1-35-684-7
Synonyms	(3S,6S)-3,6-bis[[4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]piperazine-2,5-dione (3S,6S)-3,6-bis[[4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]piperazine-2,5-dione
Wiley ID	1526787