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(6Z)-6-(4-chlorobenzylidene)-2-(p-toluidino)imidazo[2,1-b][1,3,4]thiadiazol-5-one
SpectraBase Compound ID LxdFaEF9HaY
InChI InChI=1S/C18H13ClN4OS/c1-11-2-8-14(9-3-11)20-17-22-23-16(24)15(21-18(23)25-17)10-12-4-6-13(19)7-5-12/h2-10H,1H3,(H,20,22)/b15-10-
InChIKey CVMMQLWTMKCYFG-GDNBJRDFSA-N
Mol Weight 368.84 g/mol
Molecular Formula C18H13ClN4OS
Exact Mass 368.04986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4k1I49BCdJr
Name (6Z)-6-(4-Chlorobenzylidene)-2-(p-toluidino)imidazo[2,1-B][1,3,4]thiadiazol-5-one
Comments Computed using HOSE algorithm
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Exact Mass 368.049859928 u
Formula C18H13ClN4OS
InChI InChI=1S/C18H13ClN4OS/c1-11-2-8-14(9-3-11)20-17-22-23-16(24)15(21-18(23)25-17)10-12-4-6-13(19)7-5-12/h2-10H,1H3,(H,20,22)/b15-10-
InChIKey CVMMQLWTMKCYFG-GDNBJRDFSA-N
Molecular Weight 368.842 g/mol
SMILES C=12SC(=NN2C(\C(N1)=C\C=1C=CC(=CC1)Cl)=O)NC=1C=CC(=CC1)C