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4-(4-methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione

View entire compound with spectra: 1 MS (GC)

4-(4-methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID 70lE93lBT3e
InChI InChI=1S/C22H29N7OS2/c1-16(2)19-14-32-21(24-19)20-25-28(15-27-11-9-26(3)10-12-27)22(31)29(20)23-13-17-5-7-18(30-4)8-6-17/h5-8,13-14,16H,9-12,15H2,1-4H3/b23-13+
InChIKey RQLAOKJAOUFYTB-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 3nXkOcXY56o
Name 4-(4-methoxybenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
Alternate Name(s) 4-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methyl-1-piperazinyl)methyl]-5-(4-propan-2-yl-2-thiazolyl)-1,2,4-triazole-3-thione 5-(4-isopropylthiazol-2-yl)-4-[(E)-(4-methoxyphenyl)methyleneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione 4-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazole-3-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(15-27-11-9-26(3)10-12-27)22(31)29(20)23-13-17-5-7-18(30-4)8-6-17/h5-8,13-14,16H,9-12,15H2,1-4H3/b23-13+
InChIKey RQLAOKJAOUFYTB-YDZHTSKRSA-N
Molecular Weight 471.642 g/mol
SMILES C=1(N(C(N(N1)CN1CCN(CC1)C)=S)\N=C\c1ccc(cc1)OC)c1nc(C(C)C)cs1
SPLASH splash10-00di-0000900000-1d1b75eb183dea189448
Source of Spectrum F2-45-5126-7b
Wiley ID 1703733