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2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide

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2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID KGcy65jTqAM
InChI InChI=1S/C17H16N6O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10,18H2,1H3,(H,19,24)
InChIKey BUIZYWUZRRANGU-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C17H16N6O3S
Exact Mass 384.10046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LmnMrUVByU
Name 2-[[5-(4-Aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.100459570 u
Formula C17H16N6O3S
InChI InChI=1S/C17H16N6O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10,18H2,1H3,(H,19,24)
InChIKey BUIZYWUZRRANGU-UHFFFAOYSA-N
Molecular Weight 384.414 g/mol
SMILES C=1C=CC(N(=O)=O)=CC1NC(CSC=1N(C(=NN1)C1=CC=C(C=C1)N)C)=O