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N-{5-[2-((2E)-2-{[5-(2,4-dichlorophenyl)-2-furyl]methylene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide

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N-{5-[2-((2E)-2-{[5-(2,4-dichlorophenyl)-2-furyl]methylene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
SpectraBase Compound ID JiSddON6MM5
InChI InChI=1S/C23H17Cl2N5O3S/c1-13-4-2-3-5-16(13)22(32)27-23-30-29-21(34-23)11-20(31)28-26-12-15-7-9-19(33-15)17-8-6-14(24)10-18(17)25/h2-10,12H,11H2,1H3,(H,28,31)(H,27,30,32)/b26-12+
InChIKey KCDCSKGELKWBSB-RPPGKUMJSA-N
Mol Weight 514.39 g/mol
Molecular Formula C23H17Cl2N5O3S
Exact Mass 513.042916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuZhTONS8Nv
Name N-{5-[2-((2E)-2-{[5-(2,4-Dichlorophenyl)-2-furyl]methylene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.042915998 u
Formula C23H17Cl2N5O3S
InChI InChI=1S/C23H17Cl2N5O3S/c1-13-4-2-3-5-16(13)22(32)27-23-30-29-21(34-23)11-20(31)28-26-12-15-7-9-19(33-15)17-8-6-14(24)10-18(17)25/h2-10,12H,11H2,1H3,(H,28,31)(H,27,30,32)/b26-12+
InChIKey KCDCSKGELKWBSB-RPPGKUMJSA-N
Molecular Weight 514.387 g/mol
SMILES N(\N=C\C=1OC(C=2C(=CC(=CC2)Cl)Cl)=CC1)C(CC=1SC(=NN1)NC(C1=C(C)C=CC=C1)=O)=O