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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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAaC74RBHbI
Name 4-(4-(Dimethylamino)benzylideneamino)-5-(4-isopropylthiazol-2-yl)-2-((4-methylpiperazin-1-yl)methyl)-2H-1,2,4-triazole-3(4H)-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.219135410 u
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\C1=CC=C(C=C1)N(C)C)C1=NC(C(C)C)=CS1