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3-Amino-4-(benzo[d]thiazol-2-yl)-N-(1,3-dioxoisoindolin-2-yl)-5-mercaptothiophene-2-carboxamide
SpectraBase Compound ID JqjOgh0o77m
InChI InChI=1S/C20H12N4O3S3/c21-14-13(17-22-11-7-3-4-8-12(11)29-17)20(28)30-15(14)16(25)23-24-18(26)9-5-1-2-6-10(9)19(24)27/h1-8,28H,21H2,(H,23,25)
InChIKey WGRAXIAFFCIJQI-UHFFFAOYSA-N
Mol Weight 452.52 g/mol
Molecular Formula C20H12N4O3S3
Exact Mass 452.007154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nOTylml6qP
Name 3-Amino-4-(benzo[d]thiazol-2-yl)-N-(1,3-dioxoisoindolin-2-yl)-5-mercaptothiophene-2-carboxamide
Appearance Dark green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12N4O3S3
InChI InChI=1S/C20H12N4O3S3/c21-14-13(17-22-11-7-3-4-8-12(11)29-17)20(28)30-15(14)16(25)23-24-18(26)9-5-1-2-6-10(9)19(24)27/h1-8,28H,21H2,(H,23,25)
InChIKey WGRAXIAFFCIJQI-UHFFFAOYSA-N
Instrument Name Schimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3524
Molecular Weight 452.521 g/mol
SMILES Nc1c(c(sc1C(NN1C(c2c(C1=O)cccc2)=O)=O)S)-c1sc2ccccc2n1
SPLASH splash10-0005-1971000000-de44cfd92eafb8f6e046
Source of Spectrum Y-56-SM6-20
Wiley ID 1859526