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(3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SpectraBase Compound ID 22H0oNhMeUP
InChI InChI=1S/C25H22N2OS2/c1-17-24(29-20-13-6-3-7-14-20)23(18-10-4-2-5-11-18)27(26-17)25(28)22-16-19-12-8-9-15-21(19)30-22/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3
InChIKey XXQXSYHWROCESG-UHFFFAOYSA-N
Mol Weight 430.58 g/mol
Molecular Formula C25H22N2OS2
Exact Mass 430.117356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzO2x7X7xo9
Name (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Alternate Name(s) (3-methyl-5-phenyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone 3-Methyl-5-phenyl-4-(phenylsulfanyl)-1-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1H-pyrazole [3-methyl-5-phenyl-4-(phenylthio)-1-pyrazolyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone [3-methyl-5-phenyl-4-(phenylthio)pyrazol-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone
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Formula C25H22N2OS2
InChI InChI=1S/C25H22N2OS2/c1-17-24(29-20-13-6-3-7-14-20)23(18-10-4-2-5-11-18)27(26-17)25(28)22-16-19-12-8-9-15-21(19)30-22/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3
InChIKey XXQXSYHWROCESG-UHFFFAOYSA-N
Molecular Weight 430.584 g/mol
SMILES c1ccc(-c2c(Sc3ccccc3)c(n[n]2C(c2sc3CCCCc3c2)=O)C)cc1
SPLASH splash10-014i-1910100000-fac25873e3e4b93cf41d
Wiley ID 1462373