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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-methylphenyl)-N-[3-(methylthio)phenyl]-
SpectraBase Compound ID JCNQKbgF6jO
InChI InChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)22-16(18)15(20-21-22)17(23)19-12-4-3-5-14(10-12)24-2/h3-10H,18H2,1-2H3,(H,19,23)
InChIKey XVSBZXBKMHLFSO-UHFFFAOYSA-N
Mol Weight 339.42 g/mol
Molecular Formula C17H17N5OS
Exact Mass 339.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlBZuKUfuEK
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-methylphenyl)-N-[3-(methylthio)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.115381360 u
Formula C17H17N5OS
InChI InChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)22-16(18)15(20-21-22)17(23)19-12-4-3-5-14(10-12)24-2/h3-10H,18H2,1-2H3,(H,19,23)
InChIKey XVSBZXBKMHLFSO-UHFFFAOYSA-N
Molecular Weight 339.417 g/mol
SMILES NC1=C(C(NC2=CC(SC)=CC=C2)=O)N=NN1C1=CC=C(C=C1)C