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5-(1-(2-Phenylquinazolin-4-yl)piperidin-4-yl)-1,3,4-thiadiazole-2(3H)-thione
SpectraBase Compound ID H83da4KdxG0
InChI InChI=1S/C21H19N5S2/c27-21-25-24-20(28-21)15-10-12-26(13-11-15)19-16-8-4-5-9-17(16)22-18(23-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,25,27)
InChIKey DUIXLOYGWBJZDG-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C21H19N5S2
Exact Mass 405.108188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gt1Sj40Oi6
Name 5-(1-(2-Phenylquinazolin-4-yl)piperidin-4-yl)-1,3,4-thiadiazole-2(3H)-thione
Alternate Name(s) 5-[1-(2-phenyl-4-quinazolinyl)-4-piperidinyl]-3H-1,3,4-thiadiazole-2-thione 5-[1-(2-phenylquinazolin-4-yl)piperidin-4-yl]-3H-1,3,4-thiadiazole-2-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N5S2
InChI InChI=1S/C21H19N5S2/c27-21-25-24-20(28-21)15-10-12-26(13-11-15)19-16-8-4-5-9-17(16)22-18(23-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,25,27)
InChIKey DUIXLOYGWBJZDG-UHFFFAOYSA-N
Molecular Weight 405.538 g/mol
SMILES N1C(SC(=N1)C1CCN(c2nc(nc3ccccc23)-c2ccccc2)CC1)=S
SPLASH splash10-0a4i-0000900000-fa968bd1a54bab1eee09
Source of Spectrum F2-45-4951-10
Wiley ID 1703664