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2-[3,5-bis[(4-chlorophenyl)sulfanyl]-1,2,6-thiadiazin-4-ylidene]propanedinitrile
SpectraBase Compound ID 7iRtfFwvT4U
InChI InChI=1S/C18H8Cl2N4S3/c19-12-1-5-14(6-2-12)25-17-16(11(9-21)10-22)18(24-27-23-17)26-15-7-3-13(20)4-8-15/h1-8H
InChIKey ACDRIQOXLJYVBR-UHFFFAOYSA-N
Mol Weight 447.38 g/mol
Molecular Formula C18H8Cl2N4S3
Exact Mass 445.928815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhU5fVsBGKL
Name 2-[3,5-bis[(4-chlorophenyl)sulfanyl]-1,2,6-thiadiazin-4-ylidene]propanedinitrile
Alternate Name(s) 2-[3,5-bis[(4-chlorophenyl)thio]-1,2,6-thiadiazin-4-ylidene]malononitrile 2-[3,5-bis[(4-chlorophenyl)thio]-1,2,6-thiadiazin-4-ylidene]propanedinitrile
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Formula C18H8Cl2N4S3
InChI InChI=1S/C18H8Cl2N4S3/c19-12-1-5-14(6-2-12)25-17-16(11(9-21)10-22)18(24-27-23-17)26-15-7-3-13(20)4-8-15/h1-8H
InChIKey ACDRIQOXLJYVBR-UHFFFAOYSA-N
Molecular Weight 447.376 g/mol
SMILES C1(C(=NSN=C1Sc1ccc(cc1)Cl)Sc1ccc(cc1)Cl)=C(C#N)C#N
SPLASH splash10-0a4l-3910000000-f1c8f5c9c81a2da1f5ab
Source of Spectrum KC-0-1085-4
Wiley ID 830289