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4-(3,4,5-trimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID BjcUnZoPJW7
InChI InChI=1S/C23H30N6O4S2/c1-15(2)17-13-35-22(25-17)21-26-28(14-27-6-8-33-9-7-27)23(34)29(21)24-12-16-10-18(30-3)20(32-5)19(11-16)31-4/h10-13,15H,6-9,14H2,1-5H3/b24-12+
InChIKey VACDZDFICPRLFG-WYMPLXKRSA-N
Mol Weight 518.65 g/mol
Molecular Formula C23H30N6O4S2
Exact Mass 518.176996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIxShqS0xyf
Name 4-(3,4,5-trimethoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
Comments Less than 3 mono-isotopic peaks
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Formula C23H30N6O4S2
InChI InChI=1S/C23H30N6O4S2/c1-15(2)17-13-35-22(25-17)21-26-28(14-27-6-8-33-9-7-27)23(34)29(21)24-12-16-10-18(30-3)20(32-5)19(11-16)31-4/h10-13,15H,6-9,14H2,1-5H3/b24-12+
InChIKey VACDZDFICPRLFG-WYMPLXKRSA-N
Molecular Weight 518.651 g/mol
SMILES C=1(N(C(N(N1)CN1CCOCC1)=S)\N=C\c1cc(OC)c(c(c1)OC)OC)c1nc(C(C)C)cs1
SPLASH splash10-014i-0000090000-dce9723b65af68fccaa5
Source of Spectrum F2-45-5127-7h
Synonyms 2-(4-morpholinylmethyl)-5-(4-propan-2-yl-2-thiazolyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazole-3-thione 5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]-1,2,4-triazole-3-thione 2-(morpholin-4-ylmethyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazole-3-thione
Wiley ID 1703727