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4-(benzylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
SpectraBase Compound ID D31UjvKqkyF
InChI InChI=1S/C23H19N3O3S2/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey DBPOUAOODFTIJD-UHFFFAOYSA-N
Mol Weight 449.54 g/mol
Molecular Formula C23H19N3O3S2
Exact Mass 449.086784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfH9YxqK1vy
Name 4-(benzylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
Alternate Name(s) 4-(benzylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole 4-Benzylsulfanyl-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole 6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-(phenylmethylsulfanyl)indazole 6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-(phenylmethylthio)indazole
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Formula C23H19N3O3S2
InChI InChI=1S/C23H19N3O3S2/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey DBPOUAOODFTIJD-UHFFFAOYSA-N
Molecular Weight 449.543 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCc1ccccc1)C1SCCO1
SPLASH splash10-0006-9112000000-a0fb2ac0fbad437221d0
Wiley ID 1464863