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4-(4-methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID GLw9oZcQHtw
InChI InChI=1S/C21H26N6O2S2/c1-15(2)18-13-31-20(23-18)19-24-26(14-25-8-10-29-11-9-25)21(30)27(19)22-12-16-4-6-17(28-3)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3/b22-12+
InChIKey OUVGIHMVJIZPBQ-WSDLNYQXSA-N
Mol Weight 458.6 g/mol
Molecular Formula C21H26N6O2S2
Exact Mass 458.155866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpFKbhtNpcU
Name 4-(4-methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
Alternate Name(s) 4-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-morpholinylmethyl)-5-(4-propan-2-yl-2-thiazolyl)-1,2,4-triazole-3-thione 5-(4-isopropylthiazol-2-yl)-4-[(E)-(4-methoxyphenyl)methyleneamino]-2-(morpholinomethyl)-1,2,4-triazole-3-thione 4-[(E)-(4-methoxyphenyl)methylideneamino]-2-(morpholin-4-ylmethyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazole-3-thione
Comments Less than 3 mono-isotopic peaks
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Formula C21H26N6O2S2
InChI InChI=1S/C21H26N6O2S2/c1-15(2)18-13-31-20(23-18)19-24-26(14-25-8-10-29-11-9-25)21(30)27(19)22-12-16-4-6-17(28-3)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3/b22-12+
InChIKey OUVGIHMVJIZPBQ-WSDLNYQXSA-N
Molecular Weight 458.599 g/mol
SMILES C=1(N(C(N(N1)CN1CCOCC1)=S)\N=C\c1ccc(cc1)OC)c1nc(C(C)C)cs1
SPLASH splash10-0a4i-0000900000-34de5d5ba60fe464dbbb
Source of Spectrum F2-45-5127-7f
Wiley ID 1703729