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3-Benzoyl-1-(4-chlorophenyl)-5-methyl-2-thioxo-4,6-diphenyl-1,2-dihydropyridine [3-benzoyl-5-methyl-1-(4-chlorophenyl)-4,6-diphenyl-2(1H)-pyridinethione]
SpectraBase Compound ID 5S91iBuHUKJ
InChI InChI=1S/C31H22ClNOS/c1-21-27(22-11-5-2-6-12-22)28(30(34)24-15-9-4-10-16-24)31(35)33(26-19-17-25(32)18-20-26)29(21)23-13-7-3-8-14-23/h2-20H,1H3
InChIKey MQCGMKDIWKRUTB-UHFFFAOYSA-N
Mol Weight 492.04 g/mol
Molecular Formula C31H22ClNOS
Exact Mass 491.111063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XfOfa70wkG
Name 3-Benzoyl-1-(4-chlorophenyl)-5-methyl-2-thioxo-4,6-diphenyl-1,2-dihydropyridine [3-benzoyl-5-methyl-1-(4-chlorophenyl)-4,6-diphenyl-2(1H)-pyridinethione]
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Formula C31H22ClNOS
InChI InChI=1S/C31H22ClNOS/c1-21-27(22-11-5-2-6-12-22)28(30(34)24-15-9-4-10-16-24)31(35)33(26-19-17-25(32)18-20-26)29(21)23-13-7-3-8-14-23/h2-20H,1H3
InChIKey MQCGMKDIWKRUTB-UHFFFAOYSA-N
Molecular Weight 492.036 g/mol
SMILES C=1(C(N(c2ccc(cc2)Cl)C(=C(C1c1ccccc1)C)c1ccccc1)=S)C(=O)c1ccccc1
SPLASH splash10-03di-1000900000-e5e3d2365e32a2cbd0f8
Source of Spectrum SO-0-954-6
Synonyms [1-(4-chlorophenyl)-5-methyl-4,6-diphenyl-2-sulfanylidene-3-pyridinyl]-phenylmethanone [1-(4-chlorophenyl)-5-methyl-4,6-diphenyl-2-sulfanylidenepyridin-3-yl]-phenylmethanone [1-(4-chlorophenyl)-5-methyl-4,6-diphenyl-2-sulfanylidene-pyridin-3-yl]-phenyl-methanone
Wiley ID 1539031