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benzo[d]thiazol-2-yl(1-phenyl-4-(thiophene-2-carbonyl)-1H-pyrazol-3-yl)methanone
SpectraBase Compound ID CHERYo5qk0k
InChI InChI=1S/C22H13N3O2S2/c26-20(18-11-6-12-28-18)15-13-25(14-7-2-1-3-8-14)24-19(15)21(27)22-23-16-9-4-5-10-17(16)29-22/h1-13H
InChIKey ADQFIXLLJFQORN-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C22H13N3O2S2
Exact Mass 415.044919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EpvuRUpLLY
Name [3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13N3O2S2
InChI InChI=1S/C22H13N3O2S2/c26-20(18-11-6-12-28-18)15-13-25(14-7-2-1-3-8-14)24-19(15)21(27)22-23-16-9-4-5-10-17(16)29-22/h1-13H
InChIKey ADQFIXLLJFQORN-UHFFFAOYSA-N
Molecular Weight 415.485 g/mol
SMILES c1(c(n[n](c1)-c1ccccc1)C(c1nc2ccccc2s1)=O)C(c1sccc1)=O
SPLASH splash10-01q9-9630100000-17655de19da4520c04a1
Synonyms [3-(1,3-benzothiazole-2-carbonyl)-1-phenyl-pyrazol-4-yl]-(2-thienyl)methanone [3-(1,3-benzothiazole-2-carbonyl)-1-phenylpyrazol-4-yl]-thiophen-2-ylmethanone [3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-phenyl-4-pyrazolyl]-thiophen-2-ylmethanone
Wiley ID 1452425