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4-(4-(dimethylamino)benzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
SpectraBase Compound ID 2c9DkkMzegd
InChI InChI=1S/C23H32N8S2/c1-17(2)20-15-33-22(25-20)21-26-30(16-29-12-10-28(5)11-13-29)23(32)31(21)24-14-18-6-8-19(9-7-18)27(3)4/h6-9,14-15,17H,10-13,16H2,1-5H3/b24-14+
InChIKey FCAVCJPMRXWKBB-ZVHZXABRSA-N
Mol Weight 484.7 g/mol
Molecular Formula C23H32N8S2
Exact Mass 484.219135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C91JB14Ah0J
Name 4-(4-(dimethylamino)benzylideneamino)-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-(dimethylamino)phenyl]methylideneamino]-2-[(4-methyl-1-piperazinyl)methyl]-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-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione 4-[(E)-[4-(dimethylamino)phenyl]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 C23H32N8S2
InChI InChI=1S/C23H32N8S2/c1-17(2)20-15-33-22(25-20)21-26-30(16-29-12-10-28(5)11-13-29)23(32)31(21)24-14-18-6-8-19(9-7-18)27(3)4/h6-9,14-15,17H,10-13,16H2,1-5H3/b24-14+
InChIKey FCAVCJPMRXWKBB-ZVHZXABRSA-N
Molecular Weight 484.685 g/mol
SMILES C=1(N(C(N(N1)CN1CCN(CC1)C)=S)\N=C\c1ccc(cc1)N(C)C)c1nc(C(C)C)cs1
SPLASH splash10-001i-0000900000-d3241ffcd3cc75b66b68
Source of Spectrum F2-45-5127-7c
Wiley ID 1703732