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Hydrazinecarbothioic acid, [(3-benzoyl-5-phenyl-4-isothiazolyl)phenylmethylene]-, O-methyl ester
SpectraBase Compound ID Gnl0UjqNKAq
InChI InChI=1S/C25H19N3O2S2/c1-30-25(31)27-26-21(17-11-5-2-6-12-17)20-22(23(29)18-13-7-3-8-14-18)28-32-24(20)19-15-9-4-10-16-19/h2-16H,1H3,(H,27,31)/b26-21+
InChIKey HWEDEJZNYOOLOZ-YYADALCUSA-N
Mol Weight 457.57 g/mol
Molecular Formula C25H19N3O2S2
Exact Mass 457.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmMShErYauO
Name Hydrazinecarbothioic acid, [(3-benzoyl-5-phenyl-4-isothiazolyl)phenylmethylene]-, O-methyl ester
Alternate Name(s) O-methyl (2E)-2-[(3-benzoyl-5-phenyl-4-isothiazolyl)(phenyl)methylene]hydrazinecarbothioate
CAS Registry Number 110315-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N3O2S2
InChI InChI=1S/C25H19N3O2S2/c1-30-25(31)27-26-21(17-11-5-2-6-12-17)20-22(23(29)18-13-7-3-8-14-18)28-32-24(20)19-15-9-4-10-16-19/h2-16H,1H3,(H,27,31)/b26-21+
InChIKey HWEDEJZNYOOLOZ-YYADALCUSA-N
Molecular Weight 457.566 g/mol
SMILES N(C(=S)OC)\N=C\(c1c(nsc1-c1ccccc1)C(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0kcr-9404100000-438c966d0e2995418b18
Source of Spectrum K-121-102-25
Wiley ID 1389629