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3-(4-chloro-3-methylphenyl)-5-(1H-indol-3-ylmethyl)-2-thioxo-4-imidazolidinone
SpectraBase Compound ID 6PoPtqYpj8Y
InChI InChI=1S/C19H16ClN3OS/c1-11-8-13(6-7-15(11)20)23-18(24)17(22-19(23)25)9-12-10-21-16-5-3-2-4-14(12)16/h2-8,10,17,21H,9H2,1H3,(H,22,25)
InChIKey PBHLIYMUWBBELZ-UHFFFAOYSA-N
Mol Weight 369.87 g/mol
Molecular Formula C19H16ClN3OS
Exact Mass 369.070261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeCsZ9Gu9MD
Name 3-(4-Chloro-3-methylphenyl)-5-(1H-indol-3-ylmethyl)-2-thioxo-4-imidazolidinone
Comments Computed using HOSE algorithm
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Exact Mass 369.070261020 u
Formula C19H16ClN3OS
InChI InChI=1S/C19H16ClN3OS/c1-11-8-13(6-7-15(11)20)23-18(24)17(22-19(23)25)9-12-10-21-16-5-3-2-4-14(12)16/h2-8,10,17,21H,9H2,1H3,(H,22,25)
InChIKey PBHLIYMUWBBELZ-UHFFFAOYSA-N
Molecular Weight 369.870 g/mol
SMILES N1C(CC2=CNC3=C2C=CC=C3)C(N(C1=S)C=1C=C(C)C(=CC1)Cl)=O