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3-Benzoyl-1,4-bis(4-chlorophenyl)-5-methyl-2-thioxo-6-phenyl-1,2-dihydropyridine [3-benzoyl-5-methyl-1,4-bis(4-chlorophenyl)-6-phenyl-2(1H)-pyridinethione]

View entire compound with spectra: 1 MS (GC)

3-Benzoyl-1,4-bis(4-chlorophenyl)-5-methyl-2-thioxo-6-phenyl-1,2-dihydropyridine [3-benzoyl-5-methyl-1,4-bis(4-chlorophenyl)-6-phenyl-2(1H)-pyridinethione]
SpectraBase Compound ID IARUCnNgjPb
InChI InChI=1S/C31H21Cl2NOS/c1-20-27(21-12-14-24(32)15-13-21)28(30(35)23-10-6-3-7-11-23)31(36)34(26-18-16-25(33)17-19-26)29(20)22-8-4-2-5-9-22/h2-19H,1H3
InChIKey SKUIQRJETXQPCA-UHFFFAOYSA-N
Mol Weight 526.48 g/mol
Molecular Formula C31H21Cl2NOS
Exact Mass 525.072091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23T7WofMz8s
Name 3-Benzoyl-1,4-bis(4-chlorophenyl)-5-methyl-2-thioxo-6-phenyl-1,2-dihydropyridine [3-benzoyl-5-methyl-1,4-bis(4-chlorophenyl)-6-phenyl-2(1H)-pyridinethione]
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Formula C31H21Cl2NOS
InChI InChI=1S/C31H21Cl2NOS/c1-20-27(21-12-14-24(32)15-13-21)28(30(35)23-10-6-3-7-11-23)31(36)34(26-18-16-25(33)17-19-26)29(20)22-8-4-2-5-9-22/h2-19H,1H3
InChIKey SKUIQRJETXQPCA-UHFFFAOYSA-N
Molecular Weight 526.481 g/mol
SMILES C=1(C(N(c2ccc(cc2)Cl)C(=C(C1c1ccc(cc1)Cl)C)c1ccccc1)=S)C(=O)c1ccccc1
SPLASH splash10-002b-1100940000-aee02433c787e23c013c
Source of Spectrum SO-0-955-6
Synonyms [1,4-bis(4-chlorophenyl)-5-methyl-6-phenyl-2-sulfanylidene-3-pyridinyl]-phenylmethanone [1,4-bis(4-chlorophenyl)-5-methyl-6-phenyl-2-sulfanylidenepyridin-3-yl]-phenylmethanone [1,4-bis(4-chlorophenyl)-5-methyl-6-phenyl-2-sulfanylidene-pyridin-3-yl]-phenyl-methanone
Wiley ID 1539028