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1-(5-Tert-butyl-1,3,4-thiadizol-2-yl)-3-(3-chlorobenzo[B]thien-2-yl)urea

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1-(5-Tert-butyl-1,3,4-thiadizol-2-yl)-3-(3-chlorobenzo[B]thien-2-yl)urea
SpectraBase Compound ID BraBBl4JkLQ
InChI InChI=1S/C15H15ClN4OS2/c1-15(2,3)12-19-20-14(23-12)18-13(21)17-11-10(16)8-6-4-5-7-9(8)22-11/h4-7H,1-3H3,(H2,17,18,20,21)
InChIKey PNUKNEAZIVSAJR-UHFFFAOYSA-N
Mol Weight 366.89 g/mol
Molecular Formula C15H15ClN4OS2
Exact Mass 366.037581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6mf3CRfVYL
Name 1-(5-Tert-butyl-1,3,4-thiadizol-2-yl)-3-(3-chlorobenzo[B]thien-2-yl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.037581166 u
Formula C15H15ClN4OS2
InChI InChI=1S/C15H15ClN4OS2/c1-15(2,3)12-19-20-14(23-12)18-13(21)17-11-10(16)8-6-4-5-7-9(8)22-11/h4-7H,1-3H3,(H2,17,18,20,21)
InChIKey PNUKNEAZIVSAJR-UHFFFAOYSA-N
Molecular Weight 366.885 g/mol
SMILES N(C=1SC=2C=CC=CC2C1Cl)C(NC1=NN=C(S1)C(C)(C)C)=O