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N-Hydrazinocarboxamide - derivative of thiangazole
SpectraBase Compound ID 9EpFhaM1ve6
InChI InChI=1S/C25H28N6O2S3/c1-15-18(19(32)31-26)27-20(33-15)23(2)12-35-22(29-23)25(4)14-36-21(30-25)24(3)13-34-17(28-24)11-10-16-8-6-5-7-9-16/h5-11H,12-14,26H2,1-4H3,(H,31,32)/b11-10+/t23-,24-,25-/m0/s1
InChIKey UZIZOXDFZTVUFS-VZKANXNGSA-N
Mol Weight 540.72 g/mol
Molecular Formula C25H28N6O2S3
Exact Mass 540.143588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D0ZaSzIq8b
Name N-Hydrazinocarboxamide - derivative of thiangazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N6O2S3
InChI InChI=1S/C25H28N6O2S3/c1-15-18(19(32)31-26)27-20(33-15)23(2)12-35-22(29-23)25(4)14-36-21(30-25)24(3)13-34-17(28-24)11-10-16-8-6-5-7-9-16/h5-11H,12-14,26H2,1-4H3,(H,31,32)/b11-10+/t23-,24-,25-/m0/s1
InChIKey UZIZOXDFZTVUFS-VZKANXNGSA-N
Molecular Weight 540.719 g/mol
SMILES N(C(c1nc([C@]2(N=C([C@]3(N=C([C@]4(N=C(\C=C\c5ccccc5)SC4)C)SC3)C)SC2)C)oc1C)=O)N
SPLASH splash10-0006-0441190000-56b739397917361e3c84
Source of Spectrum U1-1999-3387-13
Synonyms 5-Methyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-4-carbohydrazide
Wiley ID 753471