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

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4-(2-chlorobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID Kp3U4vQFJP
InChI InChI=1S/C21H26ClN7S2/c1-15(2)18-13-31-20(24-18)19-25-28(14-27-10-8-26(3)9-11-27)21(30)29(19)23-12-16-6-4-5-7-17(16)22/h4-7,12-13,15H,8-11,14H2,1-3H3/b23-12+
InChIKey CGBZAQZWVBLNEP-FSJBWODESA-N
Mol Weight 476.06 g/mol
Molecular Formula C21H26ClN7S2
Exact Mass 475.137964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EV6a2zHhikL
Name 4-(2-chlorobenzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
Alternate Name(s) 4-[(E)-(2-chlorophenyl)methylideneamino]-2-[(4-methyl-1-piperazinyl)methyl]-5-(4-propan-2-yl-2-thiazolyl)-1,2,4-triazole-3-thione 4-[(E)-(2-chlorophenyl)methyleneamino]-5-(4-isopropylthiazol-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione 4-[(E)-(2-chlorophenyl)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
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Formula C21H26ClN7S2
InChI InChI=1S/C21H26ClN7S2/c1-15(2)18-13-31-20(24-18)19-25-28(14-27-10-8-26(3)9-11-27)21(30)29(19)23-12-16-6-4-5-7-17(16)22/h4-7,12-13,15H,8-11,14H2,1-3H3/b23-12+
InChIKey CGBZAQZWVBLNEP-FSJBWODESA-N
Molecular Weight 476.061 g/mol
SMILES C=1(N(C(N(N1)CN1CCN(CC1)C)=S)\N=C\c1c(Cl)cccc1)c1nc(C(C)C)cs1
SPLASH splash10-004i-0000900000-47d25816647871dd8d4f
Source of Spectrum F2-45-5126-7a
Wiley ID 1703734