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4-(p-Chlorophenyl)-1-{[4-methyl-2-(2-thienyl)-5-thiazolyl]carbonyl}semicarbazide
SpectraBase Compound ID 7SPhtuB3iUo
InChI InChI=1S/C16H13ClN4O2S2/c1-9-13(25-15(18-9)12-3-2-8-24-12)14(22)20-21-16(23)19-11-6-4-10(17)5-7-11/h2-8H,1H3,(H,20,22)(H2,19,21,23)
InChIKey VRDJOYPTNRWZDO-UHFFFAOYSA-N
Mol Weight 392.88 g/mol
Molecular Formula C16H13ClN4O2S2
Exact Mass 392.016846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C57pDBNRvFH
Name 4-(p-Chlorophenyl)-1-{[4-methyl-2-(2-thienyl)-5-thiazolyl]carbonyl}semicarbazide
Comments Computed using HOSE algorithm
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Exact Mass 392.016845721 u
Formula C16H13ClN4O2S2
InChI InChI=1S/C16H13ClN4O2S2/c1-9-13(25-15(18-9)12-3-2-8-24-12)14(22)20-21-16(23)19-11-6-4-10(17)5-7-11/h2-8H,1H3,(H,20,22)(H2,19,21,23)
InChIKey VRDJOYPTNRWZDO-UHFFFAOYSA-N
Molecular Weight 392.879 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(NNC(C=1SC(=NC1C)C=1SC=CC1)=O)=O