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(5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylidene-4-imidazolidinone
SpectraBase Compound ID 2k9BtFOuPVE
InChI InChI=1S/C13H12N4OS/c18-12-11(6-9-7-14-8-15-9)16-13(19)17(12)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,19)/t11-/m0/s1
InChIKey BANMZNRKVSFJBK-NSHDSACASA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OgCFF7q4jR
Name (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylidene-4-imidazolidinone
Alternate Name(s) (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylidene-imidazolidin-4-one (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-thioxo-4-imidazolidinone (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-thioxo-imidazolidin-4-one Histidine phenylthiohydantoin
CAS Registry Number 29635-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c18-12-11(6-9-7-14-8-15-9)16-13(19)17(12)10-4-2-1-3-5-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,19)/t11-/m0/s1
InChIKey BANMZNRKVSFJBK-NSHDSACASA-N
Molecular Weight 272.326 g/mol
SMILES N1[C@@](Cc2c[nH]cn2)(C(N(C1=S)c1ccccc1)=O)[H]
SPLASH splash10-00di-0790000000-86f0d2a109c7fe7f446d
Source of Spectrum AV-53-120-4
Wiley ID 1275829