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N'-[6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-3,5-dicyano-4-(4-nitrophenyl)-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride

View entire compound with spectra: 1 MS (GC)

N'-[6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-3,5-dicyano-4-(4-nitrophenyl)-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride
SpectraBase Compound ID 5aq1NzlwWPE
InChI InChI=1S/C19H17Cl2N7O2S/c1-26(2)18(20)24-16-13(9-22)15(11-5-7-12(8-6-11)28(29)30)14(10-23)17(31-16)25-19(21)27(3)4/h5-8,15H,1-4H3/b24-18+,25-19+
InChIKey ZIKBXQWVPKFLDX-SIHVKLMXSA-N
Mol Weight 478.36 g/mol
Molecular Formula C19H17Cl2N7O2S
Exact Mass 477.054149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38Wttvr8ZmN
Name N'-[6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-3,5-dicyano-4-(4-nitrophenyl)-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride
Alternate Name(s) N'-[6-[(Z)-[chloro(dimethylamino)methylene]amino]-3,5-dicyano-4-(4-nitrophenyl)-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride N'-[6-[(Z)-[chloro(dimethylamino)methylidene]amino]-3,5-dicyano-4-(4-nitrophenyl)-4H-thiopyran-2-yl]-N,N-dimethylcarbamimidoyl chloride
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17Cl2N7O2S
InChI InChI=1S/C19H17Cl2N7O2S/c1-26(2)18(20)24-16-13(9-22)15(11-5-7-12(8-6-11)28(29)30)14(10-23)17(31-16)25-19(21)27(3)4/h5-8,15H,1-4H3/b24-18+,25-19+
InChIKey ZIKBXQWVPKFLDX-SIHVKLMXSA-N
Molecular Weight 478.358 g/mol
SMILES C1(=C(C(c2ccc(N(=O)=O)cc2)C(=C(S1)\N=C\(N(C)C)Cl)C#N)C#N)\N=C\(N(C)C)Cl
SPLASH splash10-004i-7000900000-e280991af8d4a2bb7b10
Source of Spectrum H1-52-338-3
Wiley ID 817585