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7-Amino-3-(benzo[d]thiazol-2-yl)-2-(phenylamino)-5-thioxo-4,5-dihydrothieno[3,2-b]pyridine-6-carbonitrile
SpectraBase Compound ID KWAACwQry9
InChI InChI=1S/C21H13N5S3/c22-10-12-16(23)18-17(26-19(12)27)15(20(29-18)24-11-6-2-1-3-7-11)21-25-13-8-4-5-9-14(13)28-21/h1-9,24H,(H3,23,26,27)
InChIKey RGOKPQDYDRHTMX-UHFFFAOYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C21H13N5S3
Exact Mass 431.033309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVNSAcBzfvf
Name 7-Amino-3-(benzo[d]thiazol-2-yl)-2-(phenylamino)-5-thioxo-4,5-dihydrothieno[3,2-b]pyridine-6-carbonitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13N5S3
InChI InChI=1S/C21H13N5S3/c22-10-12-16(23)18-17(26-19(12)27)15(20(29-18)24-11-6-2-1-3-7-11)21-25-13-8-4-5-9-14(13)28-21/h1-9,24H,(H3,23,26,27)
InChIKey RGOKPQDYDRHTMX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3629
Molecular Weight 431.550 g/mol
SMILES N(c1sc2C(=C(C(Nc2c1-c1sc2c(n1)cccc2)=S)C#N)N)c1ccccc1
SPLASH splash10-000b-1791000000-a69d962e2495b4803b48
Source of Spectrum Y-56-SM23-12
Wiley ID 1861237