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[1-(4-chlorophenyl)-4-(methylsulfanyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl](phenyl)methanone
SpectraBase Compound ID IyP5mGumjb0
InChI InChI=1S/C25H18ClNOS2/c1-30-22-16-21(17-8-4-2-5-9-17)27(20-14-12-19(26)13-15-20)25(29)23(22)24(28)18-10-6-3-7-11-18/h2-16H,1H3
InChIKey INFJKHHSUJPOLV-UHFFFAOYSA-N
Mol Weight 448.0 g/mol
Molecular Formula C25H18ClNOS2
Exact Mass 447.051834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuWatRwYZEb
Name [1-(4-chlorophenyl)-4-(methylsulfanyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl](phenyl)methanone
Alternate Name(s) [1-(4-chlorophenyl)-4-(methylthio)-6-phenyl-2-sulfanylidene-3-pyridinyl]-phenylmethanone [1-(4-chlorophenyl)-4-(methylthio)-6-phenyl-2-thioxo-3-pyridyl]-phenyl-methanone [1-(4-chlorophenyl)-4-methylsulfanyl-6-phenyl-2-sulfanylidene-pyridin-3-yl]-phenyl-methanone [1-(4-chlorophenyl)-4-methylsulfanyl-6-phenyl-2-thioxo-3-pyridyl]-phenyl-methanone
CAS Registry Number 120105-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClNOS2
InChI InChI=1S/C25H18ClNOS2/c1-30-22-16-21(17-8-4-2-5-9-17)27(20-14-12-19(26)13-15-20)25(29)23(22)24(28)18-10-6-3-7-11-18/h2-16H,1H3
InChIKey INFJKHHSUJPOLV-UHFFFAOYSA-N
Molecular Weight 447.998 g/mol
SMILES C=1(C(N(c2ccc(cc2)Cl)C(=CC1SC)c1ccccc1)=S)C(=O)c1ccccc1
SPLASH splash10-014j-1000900000-7f5d4efdb1404de87a8c
Source of Spectrum Y-25-1132-6
Wiley ID 1386925