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3-(4-Chlorophenyl)-5-(benzothiazol-2-yl)carbonyl-2-(benzothiazol-2-yl)carbonyl-cyanomethylene-2,3-dihydro-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

3-(4-Chlorophenyl)-5-(benzothiazol-2-yl)carbonyl-2-(benzothiazol-2-yl)carbonyl-cyanomethylene-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID DUVQLrgRDh3
InChI InChI=1S/C26H12ClN5O2S3/c27-14-9-11-15(12-10-14)32-26(16(13-28)21(33)23-29-17-5-1-3-7-19(17)35-23)37-25(31-32)22(34)24-30-18-6-2-4-8-20(18)36-24/h1-12H/b26-16+
InChIKey YKSJMKLWIXLLMQ-WGOQTCKBSA-N
Mol Weight 558.05 g/mol
Molecular Formula C26H12ClN5O2S3
Exact Mass 556.984166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NonIRtFZtY
Name 3-(4-Chlorophenyl)-5-(benzothiazol-2-yl)carbonyl-2-(benzothiazol-2-yl)carbonyl-cyanomethylene-2,3-dihydro-1,3,4-thiadiazole
Alternate Name(s) (2E)-3-(1,3-benzothiazol-2-yl)-2-(5-(1,3-benzothiazol-2-ylcarbonyl)-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile 3-(4-Chlorophenyl)-5-(benzothiaxol-2-yl)carbonyl-2-(benzothiazol-2-yl)carbonylcyanomethylene-2,3-dihydro-1,3,4-thiadiazole
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Formula C26H12ClN5O2S3
InChI InChI=1S/C26H12ClN5O2S3/c27-14-9-11-15(12-10-14)32-26(16(13-28)21(33)23-29-17-5-1-3-7-19(17)35-23)37-25(31-32)22(34)24-30-18-6-2-4-8-20(18)36-24/h1-12H/b26-16+
InChIKey YKSJMKLWIXLLMQ-WGOQTCKBSA-N
Molecular Weight 558.048 g/mol
SMILES C1(=NN(\C(S1)=C/(C(c1nc2ccccc2s1)=O)C#N)c1ccc(cc1)Cl)C(c1nc2ccccc2s1)=O
SPLASH splash10-08gi-0901020000-738916e91aded2f605fa
Source of Spectrum F-53-165-6
Wiley ID 799885