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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-methoxyphenyl)-N-[3-(methylthio)phenyl]-
SpectraBase Compound ID 7ayqP4DA5Nz
InChI InChI=1S/C17H17N5O2S/c1-24-13-8-6-12(7-9-13)22-16(18)15(20-21-22)17(23)19-11-4-3-5-14(10-11)25-2/h3-10H,18H2,1-2H3,(H,19,23)
InChIKey JEAAUVQWFRNNCG-UHFFFAOYSA-N
Mol Weight 355.42 g/mol
Molecular Formula C17H17N5O2S
Exact Mass 355.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jl8IrfyAp8n
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-methoxyphenyl)-N-[3-(methylthio)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.110295979 u
Formula C17H17N5O2S
InChI InChI=1S/C17H17N5O2S/c1-24-13-8-6-12(7-9-13)22-16(18)15(20-21-22)17(23)19-11-4-3-5-14(10-11)25-2/h3-10H,18H2,1-2H3,(H,19,23)
InChIKey JEAAUVQWFRNNCG-UHFFFAOYSA-N
Molecular Weight 355.416 g/mol
SMILES NC1=C(C(NC2=CC(SC)=CC=C2)=O)N=NN1C=1C=CC(=CC1)OC