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N-{4-[(p-chlorophenyl)sulfonyl]-3-thienyl}-2-[(p-chlorophenyl)thio]acetamide
SpectraBase Compound ID GVPk98zggF9
InChI InChI=1S/C18H13Cl2NO3S3/c19-12-1-5-14(6-2-12)26-11-18(22)21-16-9-25-10-17(16)27(23,24)15-7-3-13(20)4-8-15/h1-10H,11H2,(H,21,22)
InChIKey UTHPPAAXISLRGJ-UHFFFAOYSA-N
Mol Weight 458.39 g/mol
Molecular Formula C18H13Cl2NO3S3
Exact Mass 456.943462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID NaDMPAd4eC
Name N-{4-[(p-Chlorophenyl)sulfonyl]-3-thienyl}-2-[(p-chlorophenyl)thio]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 456.943462202 u
Formula C18H13Cl2NO3S3
InChI InChI=1S/C18H13Cl2NO3S3/c19-12-1-5-14(6-2-12)26-11-18(22)21-16-9-25-10-17(16)27(23,24)15-7-3-13(20)4-8-15/h1-10H,11H2,(H,21,22)
InChIKey UTHPPAAXISLRGJ-UHFFFAOYSA-N
Molecular Weight 458.392 g/mol
SMILES N(C(CSC1=CC=C(C=C1)Cl)=O)C=1C(=CSC1)S(=O)(=O)C=1C=CC(=CC1)Cl