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N-(1-[(Benzylsulfanyl)methyl]-2-[(2E)-2-(1-methylpropylidene)hydrazino]-2-oxoethyl)-4-nitrobenzamide
SpectraBase Compound ID 63Fpr6s4thh
InChI InChI=1S/C21H24N4O4S/c1-3-15(2)23-24-21(27)19(14-30-13-16-7-5-4-6-8-16)22-20(26)17-9-11-18(12-10-17)25(28)29/h4-12,19H,3,13-14H2,1-2H3,(H,22,26)(H,24,27)/b23-15+
InChIKey MHMQVDRXZUYJNS-HZHRSRAPSA-N
Mol Weight 428.51 g/mol
Molecular Formula C21H24N4O4S
Exact Mass 428.151826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uQMGPcBDKd
Name N-(1-[(Benzylsulfanyl)methyl]-2-[(2E)-2-(1-methylpropylidene)hydrazino]-2-oxoethyl)-4-nitrobenzamide
CAS Registry Number 322756-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N4O4S
InChI InChI=1S/C21H24N4O4S/c1-3-15(2)23-24-21(27)19(14-30-13-16-7-5-4-6-8-16)22-20(26)17-9-11-18(12-10-17)25(28)29/h4-12,19H,3,13-14H2,1-2H3,(H,22,26)(H,24,27)/b23-15+
InChIKey MHMQVDRXZUYJNS-HZHRSRAPSA-N
Molecular Weight 428.507 g/mol
SMILES N(C(c1ccc(cc1)N(=O)=O)=O)C(C(=O)N\N=C/(C)CC)CSCc1ccccc1
SPLASH splash10-0006-9400000000-e5db6a96d9627afdc427
Synonyms N-[1-[(2E)-2-butan-2-ylidenehydrazinyl]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-4-nitro-benzamide N-[1-[(2E)-2-butan-2-ylidenehydrazinyl]-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-nitrobenzamide N-[1-[(benzylthio)methyl]-2-keto-2-[(N'E)-N'-(1-methylpropylidene)hydrazino]ethyl]-4-nitro-benzamide N-[3-benzylsulfanyl-1-[(2E)-2-butan-2-ylidenehydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide S-Benzyl-N2-(4-nitrobenzoyl)cysteine N'-(1-methylpropylidene)hydrazone
Wiley ID 1467998