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5-[1-(4-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

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5-[1-(4-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID IOrMu9wi9TP
InChI InChI=1S/C18H15ClN6S/c1-11-3-7-14(8-4-11)20-18-23-22-17(26-18)16-12(2)25(24-21-16)15-9-5-13(19)6-10-15/h3-10H,1-2H3,(H,20,23)
InChIKey AXVMVTVDGXRBFR-UHFFFAOYSA-N
Mol Weight 382.87 g/mol
Molecular Formula C18H15ClN6S
Exact Mass 382.076743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gTapkqirOs
Name 5-[1-(4-Chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.076743381 u
Formula C18H15ClN6S
InChI InChI=1S/C18H15ClN6S/c1-11-3-7-14(8-4-11)20-18-23-22-17(26-18)16-12(2)25(24-21-16)15-9-5-13(19)6-10-15/h3-10H,1-2H3,(H,20,23)
InChIKey AXVMVTVDGXRBFR-UHFFFAOYSA-N
Molecular Weight 382.873 g/mol
SMILES C1(C2=C(C)N(N=N2)C2=CC=C(C=C2)Cl)=NN=C(S1)NC1=CC=C(C=C1)C