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8-(Tosylamino)-10-phenyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-thione
SpectraBase Compound ID 8Afe9bLiAE4
InChI InChI=1S/C21H19N3O2S2/c1-16-12-14-18(15-13-16)28(25,26)22-24-20-11-7-3-6-10-19(20)23(21(24)27)17-8-4-2-5-9-17/h2-15,19,22H,1H3
InChIKey DBJBFBXYQNIAPI-UHFFFAOYSA-N
Mol Weight 409.52 g/mol
Molecular Formula C21H19N3O2S2
Exact Mass 409.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjHERGMtt4m
Name 8-(Tosylamino)-10-phenyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-thione
Alternate Name(s) 4-methyl-N-(3-phenyl-2-thioxo-3,3a-dihydrocyclohepta[d]imidazol-1(2H)-yl)benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O2S2
InChI InChI=1S/C21H19N3O2S2/c1-16-12-14-18(15-13-16)28(25,26)22-24-20-11-7-3-6-10-19(20)23(21(24)27)17-8-4-2-5-9-17/h2-15,19,22H,1H3
InChIKey DBJBFBXYQNIAPI-UHFFFAOYSA-N
Molecular Weight 409.522 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)N1C(N(c2ccccc2)C2C1=CC=CC=C2)=S
SPLASH splash10-0udi-0090500000-4fde12cb57cd8ae2f471
Source of Spectrum H1-41-1680-6
Wiley ID 757295