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4-(4-(dimethylamino)benzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-morpholinomethyl-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID FMbP3skYFNR
InChI InChI=1S/C22H29N7OS2/c1-16(2)19-14-32-21(24-19)20-25-28(15-27-9-11-30-12-10-27)22(31)29(20)23-13-17-5-7-18(8-6-17)26(3)4/h5-8,13-14,16H,9-12,15H2,1-4H3/b23-13+
InChIKey WHVSDZWZDIIPMA-YDZHTSKRSA-N
Mol Weight 471.64 g/mol
Molecular Formula C22H29N7OS2
Exact Mass 471.187501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GMMZY4qXXr
Name 4-(4-(dimethylamino)benzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-morpholinomethyl-2H-1,2,4-triazole-3(4H)-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N7OS2
InChI InChI=1S/C22H29N7OS2/c1-16(2)19-14-32-21(24-19)20-25-28(15-27-9-11-30-12-10-27)22(31)29(20)23-13-17-5-7-18(8-6-17)26(3)4/h5-8,13-14,16H,9-12,15H2,1-4H3/b23-13+
InChIKey WHVSDZWZDIIPMA-YDZHTSKRSA-N
Molecular Weight 471.642 g/mol
SMILES C=1(N(C(N(N1)CN1CCOCC1)=S)\N=C\c1ccc(cc1)N(C)C)c1nc(C(C)C)cs1
SPLASH splash10-00di-0000900000-6f006fa4b3c9eac63046
Source of Spectrum F2-45-5127-7g
Synonyms 4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-morpholinylmethyl)-5-(4-propan-2-yl-2-thiazolyl)-1,2,4-triazole-3-thione 4-[(E)-[4-(dimethylamino)phenyl]methyleneamino]-5-(4-isopropylthiazol-2-yl)-2-(morpholinomethyl)-1,2,4-triazole-3-thione 4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(morpholin-4-ylmethyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazole-3-thione
Wiley ID 1703728