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1-[5-(N-Phenyl-N-mercaptoethyl)amino-3-(p-chlorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazole
SpectraBase Compound ID CxQb2NRXiDt
InChI InChI=1S/C19H17ClN6S/c20-15-8-6-14(7-9-15)17-18(26-13-21-12-22-26)19(24-23-17)25(10-11-27)16-4-2-1-3-5-16/h1-9,12-13,27H,10-11H2,(H,23,24)
InChIKey GNVPWQVOIJVBNA-UHFFFAOYSA-N
Mol Weight 396.9 g/mol
Molecular Formula C19H17ClN6S
Exact Mass 396.092393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzDLoj2XJzi
Name 1-[5-(N-Phenyl-N-mercaptoethyl)amino-3-(p-chlorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazole
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Formula C19H17ClN6S
InChI InChI=1S/C19H17ClN6S/c20-15-8-6-14(7-9-15)17-18(26-13-21-12-22-26)19(24-23-17)25(10-11-27)16-4-2-1-3-5-16/h1-9,12-13,27H,10-11H2,(H,23,24)
InChIKey GNVPWQVOIJVBNA-UHFFFAOYSA-N
Molecular Weight 396.900 g/mol
SMILES [nH]1nc(c(c1N(CCS)c1ccccc1)-[n]1ncnc1)-c1ccc(cc1)Cl
SPLASH splash10-01r5-5109000000-e07741e86a048c2cfc6b
Source of Spectrum H1-41-1656-3
Synonyms 2-{[3-(4-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}ethanethiol 2-{[3-(4-chlorophenyl)-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-5-yl]anilino}ethyl hydrosulfide
Wiley ID 757325