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5-[(BENZOTHIAZOL-2-YL)-CYANOMETHYLENE]-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
SpectraBase Compound ID DWZn76GHU5f
InChI InChI=1S/C12H8N4S2/c1-16-7-11(18-15-16)8(6-13)12-14-9-4-2-3-5-10(9)17-12/h2-5,7H,1H3/b11-8-
InChIKey NUTSYXLGVORUOJ-FLIBITNWSA-N
Mol Weight 272.34 g/mol
Molecular Formula C12H8N4S2
Exact Mass 272.019039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQvognIvqUB
Name 5-[(Benzoylthiazol-2-yl)cyanomethylene]-3-methyl-4,5-dihydro-1,2,3-thiadiazol-3-ium-4-ide
Alternate Name(s) (2Z)-2-(1,3-benzothiazol-2-yl)-2-(3-methyl-1-thia-3-azonia-2-azanidacyclopent-3-en-5-ylidene)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4S2
InChI InChI=1S/C12H8N4S2/c1-16-7-11(18-15-16)8(6-13)12-14-9-4-2-3-5-10(9)17-12/h2-5,7H,1H3/b11-8-
InChIKey NUTSYXLGVORUOJ-FLIBITNWSA-N
Molecular Weight 272.344 g/mol
SMILES c1(\C(=C\2SN=[N+]([CH-]2)C)C#N)nc2ccccc2s1
SPLASH splash10-0006-9130000000-a8599705e0d039d46534
Source of Spectrum KC-0-2549-14
Wiley ID 782166