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N-(4-Bromophenyl)-2-[2-(4-hydroxyphenylamino)-nicotinoyl]hydrazinecarbothioamide

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N-(4-Bromophenyl)-2-[2-(4-hydroxyphenylamino)-nicotinoyl]hydrazinecarbothioamide
SpectraBase Compound ID LbMGIAaKwHY
InChI InChI=1S/C19H16BrN5O2S/c20-12-3-5-14(6-4-12)23-19(28)25-24-18(27)16-2-1-11-21-17(16)22-13-7-9-15(26)10-8-13/h1-11,26H,(H,21,22)(H,24,27)(H2,23,25,28)
InChIKey PRJHTKUGIVGZMH-UHFFFAOYSA-N
Mol Weight 458.33 g/mol
Molecular Formula C19H16BrN5O2S
Exact Mass 457.020809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rro6UP445V
Name N-(4-Bromophenyl)-2-[2-(4-hydroxyphenylamino)-nicotinoyl]hydrazinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.020808947 u
Formula C19H16BrN5O2S
InChI InChI=1S/C19H16BrN5O2S/c20-12-3-5-14(6-4-12)23-19(28)25-24-18(27)16-2-1-11-21-17(16)22-13-7-9-15(26)10-8-13/h1-11,26H,(H,21,22)(H,24,27)(H2,23,25,28)
InChIKey PRJHTKUGIVGZMH-UHFFFAOYSA-N
Molecular Weight 458.334 g/mol
SMILES C(NNC(NC=1C=CC(=CC1)Br)=S)(C=1C=CC=NC1NC=1C=CC(=CC1)O)=O