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1-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE

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1-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID 1qR92UJB8ST
InChI InChI=1S/C18H16ClN5OS2/c1-23-11-20-21-18(23)27-10-17(25)24-15(12-4-6-13(19)7-5-12)9-14(22-24)16-3-2-8-26-16/h2-8,11,15H,9-10H2,1H3
InChIKey XRHXKYJOCQDNQY-UHFFFAOYSA-N
Mol Weight 417.93 g/mol
Molecular Formula C18H16ClN5OS2
Exact Mass 417.04848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSzOMB8QI0Q
Name 1-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16ClN5OS2
InChI InChI=1S/C18H16ClN5OS2/c1-23-11-20-21-18(23)27-10-17(25)24-15(12-4-6-13(19)7-5-12)9-14(22-24)16-3-2-8-26-16/h2-8,11,15H,9-10H2,1H3
InChIKey XRHXKYJOCQDNQY-UHFFFAOYSA-N
Literature Reference Author M.KARABACAK,M.D.ALTINTOP,H.I.CIFTCI,R.KOGA,M.OTSUKA,M.FUJITA ,A.OEZDEMIR
Literature Reference Citation MOLECULES,20,19066(2015)
Literature Reference DOI 10.3390/molecules201019066
Molecular Weight 417.931 g/mol
Solvent DMSO-D6
Source File Reference UWPA5263