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2-({[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide

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2-({[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide
SpectraBase Compound ID 6zkPZdROzno
InChI InChI=1S/C19H21N7OS2/c1-2-21-18(28)24-22-16(27)13-29-19-25-23-17(15-8-10-20-11-9-15)26(19)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,27)(H2,21,24,28)
InChIKey PEIGFRGJRWQYSG-UHFFFAOYSA-N
Mol Weight 427.55 g/mol
Molecular Formula C19H21N7OS2
Exact Mass 427.124901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gfc7WIPW3f
Name 2-({[4-benzyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.124900671 u
Formula C19H21N7OS2
InChI InChI=1S/C19H21N7OS2/c1-2-21-18(28)24-22-16(27)13-29-19-25-23-17(15-8-10-20-11-9-15)26(19)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,27)(H2,21,24,28)
InChIKey PEIGFRGJRWQYSG-UHFFFAOYSA-N
Molecular Weight 427.545 g/mol
SMILES N(NC(=S)NCC)C(CSC=1N(C(=NN1)C1=CC=NC=C1)CC=1C=CC=CC1)=O