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Benzonitrile, 4-[[[5-(4-morpholinylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID 1gZlz88ykvg
InChI InChI=1S/C21H21N5OS/c22-14-17-6-8-18(9-7-17)16-28-21-24-23-20(15-25-10-12-27-13-11-25)26(21)19-4-2-1-3-5-19/h1-9H,10-13,15-16H2
InChIKey JXOMQFWDACENAW-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C21H21N5OS
Exact Mass 391.146681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GktpDB0uJmQ
Name Benzonitrile, 4-[[[5-(4-morpholinylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
Alternate Name(s) 4-[[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile 4-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 4-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 4-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile
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Formula C21H21N5OS
InChI InChI=1S/C21H21N5OS/c22-14-17-6-8-18(9-7-17)16-28-21-24-23-20(15-25-10-12-27-13-11-25)26(21)19-4-2-1-3-5-19/h1-9H,10-13,15-16H2
InChIKey JXOMQFWDACENAW-UHFFFAOYSA-N
Molecular Weight 391.493 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(C#N)cc2)CN2CCOCC2)cc1
SPLASH splash10-05mx-7901000000-c6abee3b4794a06a5045
Source of Spectrum IY-1-4517-2
Wiley ID 1653155