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4-Methyl-2-(1-methyl-4-nitropyrrole-2-carboxamido)-thiazole-5-carboxamidopropionitrile
SpectraBase Compound ID DkmAK9Vfpem
InChI InChI=1S/C14H14N6O4S/c1-8-13(17-11(21)4-3-5-15)25-14(16-8)18-12(22)10-6-9(20(23)24)7-19(10)2/h6-7H,3-4H2,1-2H3,(H,17,21)(H,16,18,22)
InChIKey XPDHZKQKFDYSNS-UHFFFAOYSA-N
Mol Weight 362.36 g/mol
Molecular Formula C14H14N6O4S
Exact Mass 362.079724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DizXXnwb5yq
Name 4-Methyl-2-(1-methyl-4-nitropyrrole-2-carboxamido)-thiazole-5-carboxamidopropionitrile
CAS Registry Number 123724-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N6O4S
InChI InChI=1S/C14H14N6O4S/c1-8-13(17-11(21)4-3-5-15)25-14(16-8)18-12(22)10-6-9(20(23)24)7-19(10)2/h6-7H,3-4H2,1-2H3,(H,17,21)(H,16,18,22)
InChIKey XPDHZKQKFDYSNS-UHFFFAOYSA-N
Molecular Weight 362.364 g/mol
SMILES N(c1sc(c(n1)C)NC(=O)CCC#N)C(c1cc(N(=O)=O)c[n]1C)=O
SPLASH splash10-0udi-0901000000-8a9483437b0232e590c7
Source of Spectrum J-55-734-13
Synonyms N-{5-[(3-cyanopropanoyl)amino]-4-methyl-1,3-thiazol-2-yl}-1-methyl-4-nitro-1H-pyrrole-2-carboxamide
Wiley ID 1349250