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N-[[6-[(3-nitrobenzyl)thio]-2-[(E)-styryl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
SpectraBase Compound ID 6A2P6DQjCCU
InChI InChI=1S/C29H23N5O3S/c35-29(23-11-5-2-6-12-23)30-19-26-25(15-14-21-8-3-1-4-9-21)31-27-16-17-28(32-33(26)27)38-20-22-10-7-13-24(18-22)34(36)37/h1-18H,19-20H2,(H,30,35)/b15-14+
InChIKey PNOAURIMIZBYBC-CCEZHUSRSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H23N5O3S
Exact Mass 521.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWmkRykqHCI
Name N-[[6-[(3-nitrobenzyl)thio]-2-[(E)-styryl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
Alternate Name(s) N-[[6-[(3-nitrophenyl)methylsulfanyl]-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide N-[[6-[(3-nitrophenyl)methylsulfanyl]-2-[(E)-styryl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide N-[[6-[(3-nitrophenyl)methylthio]-2-[(E)-2-phenylethenyl]-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide
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Formula C29H23N5O3S
InChI InChI=1S/C29H23N5O3S/c35-29(23-11-5-2-6-12-23)30-19-26-25(15-14-21-8-3-1-4-9-21)31-27-16-17-28(32-33(26)27)38-20-22-10-7-13-24(18-22)34(36)37/h1-18H,19-20H2,(H,30,35)/b15-14+
InChIKey PNOAURIMIZBYBC-CCEZHUSRSA-N
Molecular Weight 521.595 g/mol
SMILES N(C(=O)c1ccccc1)Cc1[n]2c(nc1\C=C\c1ccccc1)C=CC(=N2)SCc1cc(N(=O)=O)ccc1
SPLASH splash10-0a6r-5900030000-218fd72dc1a7a56502a1
Source of Spectrum B-47-1989-0
Wiley ID 1402124