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1-[2-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazol-5-yl]-ethanone
SpectraBase Compound ID 5C0xN1PEZQR
InChI InChI=1S/C26H23Cl2N3OS/c1-15-25(16(2)32)33-26(29-15)31-24(18-8-12-21(28)13-9-18)22-5-3-4-19(23(22)30-31)14-17-6-10-20(27)11-7-17/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey RGSAUIBTSHSCRD-XMHGGMMESA-N
Mol Weight 496.46 g/mol
Molecular Formula C26H23Cl2N3OS
Exact Mass 495.093889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sJp782CSu
Name 1-[2-[7-(4-chloro-benzylidene)-3-(4-chloro-phenyl)-3,3a,4,5,6,7-hexahydro-indazol-2-yl]-4-methyl-thiazol-5-yl]-ethanone
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Formula C26H23Cl2N3OS
InChI InChI=1S/C26H23Cl2N3OS/c1-15-25(16(2)32)33-26(29-15)31-24(18-8-12-21(28)13-9-18)22-5-3-4-19(23(22)30-31)14-17-6-10-20(27)11-7-17/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey RGSAUIBTSHSCRD-XMHGGMMESA-N
Molecular Weight 496.456 g/mol
SMILES c1(\C=C\2C=3C(CCC2)C(c2ccc(cc2)Cl)N(c2sc(c(n2)C)C(C)=O)N3)ccc(Cl)cc1
SPLASH splash10-00or-1930000000-5496e277b7cf238618f6
Synonyms 1-{2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl}ethanone 1-{2-[7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
Wiley ID 1463797