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2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
SpectraBase Compound ID 71DBupi4oNV
InChI InChI=1S/C27H25Cl2N3O2S/c1-3-34-26(33)25-16(2)30-27(35-25)32-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-32)15-17-7-11-20(28)12-8-17/h7-15,22,24H,3-6H2,1-2H3/b19-15+
InChIKey DAGVVNSZUPFVEY-XDJHFCHBSA-N
Mol Weight 526.48 g/mol
Molecular Formula C27H25Cl2N3O2S
Exact Mass 525.104454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1XG51ikRpH
Name 2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
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Formula C27H25Cl2N3O2S
InChI InChI=1S/C27H25Cl2N3O2S/c1-3-34-26(33)25-16(2)30-27(35-25)32-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-32)15-17-7-11-20(28)12-8-17/h7-15,22,24H,3-6H2,1-2H3/b19-15+
InChIKey DAGVVNSZUPFVEY-XDJHFCHBSA-N
Molecular Weight 526.482 g/mol
SMILES c1(ccc(cc1)Cl)\C=C\1C=2C(CCC1)C(c1ccc(cc1)Cl)N(c1sc(c(n1)C)C(OCC)=O)N2
SPLASH splash10-00or-1920000000-442e00126009c7e40fd1
Synonyms 2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Ethyl 2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazole-5-carboxylate Ethyl 2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Wiley ID 1463795