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2-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-4-methyl-thiazole-5-carboxylic acid dimethylamide
SpectraBase Compound ID 1CepATWutEF
InChI InChI=1S/C27H28N4OS/c1-18-25(26(32)30(2)3)33-27(28-18)31-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)29-31)17-19-11-6-4-7-12-19/h4-9,11-14,17,22,24H,10,15-16H2,1-3H3/b21-17+
InChIKey MCGCAUQQUSAMSO-HEHNFIMWSA-N
Mol Weight 456.61 g/mol
Molecular Formula C27H28N4OS
Exact Mass 456.198383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OhuT0mGQ0j
Name 2-(7-Benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-4-methyl-thiazole-5-carboxylic acid dimethylamide
Alternate Name(s) 2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide 2-[7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
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Formula C27H28N4OS
InChI InChI=1S/C27H28N4OS/c1-18-25(26(32)30(2)3)33-27(28-18)31-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)29-31)17-19-11-6-4-7-12-19/h4-9,11-14,17,22,24H,10,15-16H2,1-3H3/b21-17+
InChIKey MCGCAUQQUSAMSO-HEHNFIMWSA-N
Molecular Weight 456.608 g/mol
SMILES c1(\C=C\2C=3C(CCC2)C(c2ccccc2)N(c2sc(c(n2)C)C(N(C)C)=O)N3)ccccc1
SPLASH splash10-00kf-6910100000-17cffe9f3f363b8f2426
Wiley ID 1463798