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4-{[(E)-9-anthrylmethylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol

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4-{[(E)-9-anthrylmethylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID GEe4L1F7RKb
InChI InChI=1S/C23H15ClN4S/c24-21-12-6-5-11-19(21)22-26-27-23(29)28(22)25-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,27,29)/b25-14+
InChIKey NTRPXWXSVZUJRT-AFUMVMLFSA-N
Mol Weight 414.91 g/mol
Molecular Formula C23H15ClN4S
Exact Mass 414.070595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nt0VADu3be
Name 4-{[(E)-9-anthrylmethylidene]amino}-5-(2-chlorophenyl)-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 414.070595373 u
Formula C23H15ClN4S
InChI InChI=1S/C23H15ClN4S/c24-21-12-6-5-11-19(21)22-26-27-23(29)28(22)25-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,27,29)/b25-14+
InChIKey NTRPXWXSVZUJRT-AFUMVMLFSA-N
Molecular Weight 414.914 g/mol
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C1=C2C(C=CC=C2)=CC=2C1=CC=CC2