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(5E)-2-[4-(4-chlorophenyl)-1-piperazinyl]-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID 7oteRUlGpky
InChI InChI=1S/C18H16ClN3OS2/c19-13-3-5-14(6-4-13)21-7-9-22(10-8-21)18-20-17(23)16(25-18)12-15-2-1-11-24-15/h1-6,11-12H,7-10H2/b16-12+
InChIKey LCQYOZRXYQERCS-FOWTUZBSSA-N
Mol Weight 389.92 g/mol
Molecular Formula C18H16ClN3OS2
Exact Mass 389.042332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bXYhptwGGV
Name (5E)-2-[4-(4-Chlorophenyl)-1-piperazinyl]-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
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Exact Mass 389.042332194 u
Formula C18H16ClN3OS2
InChI InChI=1S/C18H16ClN3OS2/c19-13-3-5-14(6-4-13)21-7-9-22(10-8-21)18-20-17(23)16(25-18)12-15-2-1-11-24-15/h1-6,11-12H,7-10H2/b16-12+
InChIKey LCQYOZRXYQERCS-FOWTUZBSSA-N
Molecular Weight 389.919 g/mol
SMILES C=1C=C(N2CCN(C3=NC(\C(=C/C=4SC=CC4)S3)=O)CC2)C=CC1Cl