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1-[4-methyl-2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]thiazol-5-yl]ethanone

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1-[4-methyl-2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]thiazol-5-yl]ethanone
SpectraBase Compound ID HkASEFmq3KJ
InChI InChI=1S/C26H23N5O5S/c1-15-25(16(2)32)37-26(27-15)29-24(18-8-12-21(13-9-18)31(35)36)22-5-3-4-19(23(22)28-29)14-17-6-10-20(11-7-17)30(33)34/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey VQHGVWZSTQADDM-XMHGGMMESA-N
Mol Weight 517.56 g/mol
Molecular Formula C26H23N5O5S
Exact Mass 517.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1oOq49k0qQ
Name 1-[4-methyl-2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]thiazol-5-yl]ethanone
Alternate Name(s) 1-[4-methyl-2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]ethanone 1-[4-methyl-2-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-5-thiazolyl]ethanone 1-[4-methyl-2-[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]thiazol-5-yl]ethanone
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Formula C26H23N5O5S
InChI InChI=1S/C26H23N5O5S/c1-15-25(16(2)32)37-26(27-15)29-24(18-8-12-21(13-9-18)31(35)36)22-5-3-4-19(23(22)28-29)14-17-6-10-20(11-7-17)30(33)34/h6-14,22,24H,3-5H2,1-2H3/b19-14+
InChIKey VQHGVWZSTQADDM-XMHGGMMESA-N
Molecular Weight 517.560 g/mol
SMILES c1(ccc(N(=O)=O)cc1)\C=C\1C=2C(CCC1)C(c1ccc(cc1)N(=O)=O)N(c1sc(c(n1)C)C(C)=O)N2
SPLASH splash10-00mo-3920000000-e91a832f7f335b162987
Wiley ID 1463806