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N'-[6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-3,5-dicyano-4-phenyl-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-phenyl-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride
SpectraBase Compound ID JjE3aw5si1w
InChI InChI=1S/C19H18Cl2N6S/c1-26(2)18(20)24-16-13(10-22)15(12-8-6-5-7-9-12)14(11-23)17(28-16)25-19(21)27(3)4/h5-9,15H,1-4H3/b24-18+,25-19+
InChIKey YKGZFFDHTVMHLB-SIHVKLMXSA-N
Mol Weight 433.36 g/mol
Molecular Formula C19H18Cl2N6S
Exact Mass 432.069071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZKL0Wycyjf
Name N'-[6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-3,5-dicyano-4-phenyl-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride
Alternate Name(s) N'-[6-[(Z)-[chloro(dimethylamino)methylene]amino]-3,5-dicyano-4-phenyl-4H-thiopyran-2-yl]-N,N-dimethyl-carbamimidoyl chloride N'-[6-[(Z)-[chloro(dimethylamino)methylidene]amino]-3,5-dicyano-4-phenyl-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 C19H18Cl2N6S
InChI InChI=1S/C19H18Cl2N6S/c1-26(2)18(20)24-16-13(10-22)15(12-8-6-5-7-9-12)14(11-23)17(28-16)25-19(21)27(3)4/h5-9,15H,1-4H3/b24-18+,25-19+
InChIKey YKGZFFDHTVMHLB-SIHVKLMXSA-N
Molecular Weight 433.361 g/mol
SMILES C1(=C(C(c2ccccc2)C(=C(S1)\N=C\(N(C)C)Cl)C#N)C#N)\N=C\(N(C)C)Cl
SPLASH splash10-004i-9000500000-2a62c72d9ca9d28b8541
Source of Spectrum H1-52-338-3
Wiley ID 817587