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N-benzyl-2-[(3-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID 3es0bKQBnFm
InChI InChI=1S/C26H25N5O2S2/c32-23(27-16-20-10-4-1-5-11-20)18-34-25-29-26(31(30-25)22-14-8-3-9-15-22)35-19-24(33)28-17-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,27,32)(H,28,33)
InChIKey QOQUDAYDLGOQGK-UHFFFAOYSA-N
Mol Weight 503.64 g/mol
Molecular Formula C26H25N5O2S2
Exact Mass 503.144967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IV1eE7FiQAY
Name 2-[[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N5O2S2
InChI InChI=1S/C26H25N5O2S2/c32-23(27-16-20-10-4-1-5-11-20)18-34-25-29-26(31(30-25)22-14-8-3-9-15-22)35-19-24(33)28-17-21-12-6-2-7-13-21/h1-15H,16-19H2,(H,27,32)(H,28,33)
InChIKey QOQUDAYDLGOQGK-UHFFFAOYSA-N
Molecular Weight 503.639 g/mol
SMILES N(C(CSc1nc(SCC(NCc2ccccc2)=O)[n](n1)-c1ccccc1)=O)Cc1ccccc1
SPLASH splash10-052f-8931000000-84da8d103eafa99a15dd
Synonyms 2-[[5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1-phenyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide N-benzyl-2-[[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-benzyl-2-[[5-[[2-(benzylamino)-2-keto-ethyl]thio]-1-phenyl-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1463688