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2-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide

View entire compound with spectra: 1 MS (GC)

2-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide
SpectraBase Compound ID KbbF2lOGs0L
InChI InChI=1S/C27H26Cl2N4OS/c1-16-25(26(34)32(2)3)35-27(30-16)33-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-33)15-17-7-11-20(28)12-8-17/h7-15,22,24H,4-6H2,1-3H3/b19-15+
InChIKey JQBWKFOWTJQMII-XDJHFCHBSA-N
Mol Weight 525.5 g/mol
Molecular Formula C27H26Cl2N4OS
Exact Mass 524.120438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B9GlKCb15f
Name 2-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid dimethylamide
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Formula C27H26Cl2N4OS
InChI InChI=1S/C27H26Cl2N4OS/c1-16-25(26(34)32(2)3)35-27(30-16)33-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-33)15-17-7-11-20(28)12-8-17/h7-15,22,24H,4-6H2,1-3H3/b19-15+
InChIKey JQBWKFOWTJQMII-XDJHFCHBSA-N
Molecular Weight 525.498 g/mol
SMILES c1(ccc(cc1)Cl)\C=C\1C=2C(CCC1)C(c1ccc(cc1)Cl)N(c1sc(c(n1)C)C(N(C)C)=O)N2
SPLASH splash10-00w9-2920120000-44772122e8dc4641dc05
Synonyms 2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide 2-[7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Wiley ID 1463812