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2-BENZYL-5-BENZYLCARBAMOYLIMINO-4-PICRYL-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID G3LakvgPF0B
InChI InChI=1S/C23H17N7O8S/c31-21(24-13-15-7-3-1-4-8-15)25-22-27(23(32)26(39-22)14-16-9-5-2-6-10-16)20-18(29(35)36)11-17(28(33)34)12-19(20)30(37)38/h1-12H,13-14H2,(H,24,31)/b25-22-
InChIKey BXGSFCDQQFWWDC-LVWGJNHUSA-N
Mol Weight 551.49 g/mol
Molecular Formula C23H17N7O8S
Exact Mass 551.085932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DzorCAftQj
Name (1Z)-1-[3-oxidanylidene-2-(phenylmethyl)-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N7O8S
InChI InChI=1S/C23H17N7O8S/c31-21(24-13-15-7-3-1-4-8-15)25-22-27(23(32)26(39-22)14-16-9-5-2-6-10-16)20-18(29(35)36)11-17(28(33)34)12-19(20)30(37)38/h1-12H,13-14H2,(H,24,31)/b25-22-
InChIKey BXGSFCDQQFWWDC-LVWGJNHUSA-N
Molecular Weight 551.490 g/mol
SMILES N(C(\N=C\1N(c2c(N(=O)=O)cc(N(=O)=O)cc2N(=O)=O)C(N(Cc2ccccc2)S1)=O)=O)Cc1ccccc1
SPLASH splash10-0006-9200000000-b114c032ef6e560531ff
Source of Spectrum Y-28-1623-9
Synonyms (1Z)-1-[3-oxo-2-(phenylmethyl)-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea (3Z)-1-benzyl-3-(2-benzyl-3-keto-4-picryl-1,2,4-thiadiazolidin-5-ylidene)urea (3Z)-1-benzyl-3-[2-benzyl-3-oxo-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]urea
Wiley ID 1405823