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5-(3-methylphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 598wgPcu58P
InChI InChI=1S/C17H16N4S/c1-12-6-5-9-14(10-12)16-19-20-17(22)21(16)18-11-15-8-4-3-7-13(15)2/h3-11H,1-2H3,(H,20,22)/b18-11+
InChIKey SGNSXXKVXUUDCY-WOJGMQOQSA-N
Mol Weight 308.4 g/mol
Molecular Formula C17H16N4S
Exact Mass 308.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FP5p24kSv1v
Name 5-(3-Methylphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.109567705 u
Formula C17H16N4S
InChI InChI=1S/C17H16N4S/c1-12-6-5-9-14(10-12)16-19-20-17(22)21(16)18-11-15-8-4-3-7-13(15)2/h3-11H,1-2H3,(H,20,22)/b18-11+
InChIKey SGNSXXKVXUUDCY-WOJGMQOQSA-N
Molecular Weight 308.403 g/mol
SMILES SC=1N(C(=NN1)C1=CC(C)=CC=C1)\N=C\C=1C(C)=CC=CC1