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acetamide, N-(2-benzothiazolyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-
SpectraBase Compound ID CEJmNZc6I0u
InChI InChI=1S/C18H16N4OS2/c1-10-11(2)13(8-19)17(20-12(10)3)24-9-16(23)22-18-21-14-6-4-5-7-15(14)25-18/h4-7H,9H2,1-3H3,(H,21,22,23)
InChIKey DDLVADKFPTZSBI-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C18H16N4OS2
Exact Mass 368.076553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9V0McEddY3x
Name Acetamide, N-(2-benzothiazolyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-
Comments Computed using HOSE algorithm
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Exact Mass 368.076553498 u
Formula C18H16N4OS2
InChI InChI=1S/C18H16N4OS2/c1-10-11(2)13(8-19)17(20-12(10)3)24-9-16(23)22-18-21-14-6-4-5-7-15(14)25-18/h4-7H,9H2,1-3H3,(H,21,22,23)
InChIKey DDLVADKFPTZSBI-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES N(C1=NC2=CC=CC=C2S1)C(=O)CSC1=C(C(C)=C(C(=N1)C)C)C#N