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3-Acetylmercaptoethylthio-5-(4-chlorophenyl)-1-phenyltriazol-1,2,4

View entire compound with spectra: 1 NMR

3-Acetylmercaptoethylthio-5-(4-chlorophenyl)-1-phenyltriazol-1,2,4
SpectraBase Compound ID 2gwvCCpxkcK
InChI InChI=1S/C18H16ClN3OS2/c1-13(23)24-11-12-25-18-20-17(14-7-9-15(19)10-8-14)22(21-18)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3
InChIKey ACNGQXRSDNHKHD-UHFFFAOYSA-N
Mol Weight 389.92 g/mol
Molecular Formula C18H16ClN3OS2
Exact Mass 389.042332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClGz5TtFtAE
Name 3-Acetylmercaptoethylthio-5-(4-chlorophenyl)-1-phenyltriazol-1,2,4
Comments Computed using HOSE algorithm
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Exact Mass 389.042332194 u
Formula C18H16ClN3OS2
InChI InChI=1S/C18H16ClN3OS2/c1-13(23)24-11-12-25-18-20-17(14-7-9-15(19)10-8-14)22(21-18)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3
InChIKey ACNGQXRSDNHKHD-UHFFFAOYSA-N
Molecular Weight 389.919 g/mol
SMILES C=1(N=C(C2=CC=C(C=C2)Cl)N(N1)C1=CC=CC=C1)SCCSC(C)=O