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4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID B42jlWkHTzX
InChI InChI=1S/C16H13BrN4S/c1-11-5-4-7-12(9-11)15-19-20-16(22)21(15)18-10-13-6-2-3-8-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey YCSAQGSRHBTCFZ-VCHYOVAHSA-N
Mol Weight 373.27 g/mol
Molecular Formula C16H13BrN4S
Exact Mass 372.004431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJJfqVp2gw2
Name 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.004430609 u
Formula C16H13BrN4S
InChI InChI=1S/C16H13BrN4S/c1-11-5-4-7-12(9-11)15-19-20-16(22)21(15)18-10-13-6-2-3-8-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey YCSAQGSRHBTCFZ-VCHYOVAHSA-N
Molecular Weight 373.272 g/mol
SMILES SC=1N(C(=NN1)C1=CC(C)=CC=C1)\N=C\C=1C(Br)=CC=CC1