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4-(2-Chlorobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID EX9zs27Xw2C
InChI InChI=1S/C20H23ClN6OS2/c1-14(2)17-12-30-19(23-17)18-24-26(13-25-7-9-28-10-8-25)20(29)27(18)22-11-15-5-3-4-6-16(15)21/h3-6,11-12,14H,7-10,13H2,1-2H3/b22-11+
InChIKey SJUCLPQQVRGLIS-SSDVNMTOSA-N
Mol Weight 463.02 g/mol
Molecular Formula C20H23ClN6OS2
Exact Mass 462.106329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGDCkYdO0pT
Name 4-(2-Chlorobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-2H-1,2,4-triazole-3(4H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClN6OS2
InChI InChI=1S/C20H23ClN6OS2/c1-14(2)17-12-30-19(23-17)18-24-26(13-25-7-9-28-10-8-25)20(29)27(18)22-11-15-5-3-4-6-16(15)21/h3-6,11-12,14H,7-10,13H2,1-2H3/b22-11+
InChIKey SJUCLPQQVRGLIS-SSDVNMTOSA-N
Molecular Weight 463.018 g/mol
SMILES C=1(N(C(N(N1)CN1CCOCC1)=S)\N=C\c1c(Cl)cccc1)c1nc(C(C)C)cs1
SPLASH splash10-03di-0001900000-92a707dabf47f79cd5cb
Source of Spectrum F2-45-5127-7e
Synonyms 4-[(E)-(2-chlorophenyl)methylideneamino]-2-(4-morpholinylmethyl)-5-(4-propan-2-yl-2-thiazolyl)-1,2,4-triazole-3-thione 4-[(E)-(2-chlorophenyl)methyleneamino]-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-1,2,4-triazole-3-thione 4-[(E)-(2-chlorophenyl)methylideneamino]-2-(morpholin-4-ylmethyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazole-3-thione
Wiley ID 1703730