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1-[2-[(7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone
SpectraBase Compound ID 3geZnfjDkRP
InChI InChI=1S/C26H25N3OS/c1-17-25(18(2)30)31-26(27-17)29-24(20-12-7-4-8-13-20)22-15-9-14-21(23(22)28-29)16-19-10-5-3-6-11-19/h3-8,10-13,16,22,24H,9,14-15H2,1-2H3/b21-16+
InChIKey LWCCFKSLVJUWCE-LTGZKZEYSA-N
Mol Weight 427.57 g/mol
Molecular Formula C26H25N3OS
Exact Mass 427.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5i7GrSX2n30
Name 1-[2-[(7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3OS
InChI InChI=1S/C26H25N3OS/c1-17-25(18(2)30)31-26(27-17)29-24(20-12-7-4-8-13-20)22-15-9-14-21(23(22)28-29)16-19-10-5-3-6-11-19/h3-8,10-13,16,22,24H,9,14-15H2,1-2H3/b21-16+
InChIKey LWCCFKSLVJUWCE-LTGZKZEYSA-N
Molecular Weight 427.566 g/mol
SMILES c1(\C=C\2C3=NN(c4sc(c(n4)C)C(C)=O)C(c4ccccc4)C3CCC2)ccccc1
SPLASH splash10-00o3-3930100000-88d7d4825469af54e118
Synonyms 1-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone 1-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazol-5-yl]ethanone 1-[4-methyl-2-[(7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-5-thiazolyl]ethanone 1-[4-methyl-2-[(7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]ethanone
Wiley ID 1463805