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acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-2-thienylmethylidene]hydrazide
SpectraBase Compound ID B3nLgpV9S3t
InChI InChI=1S/C17H17N5OS2/c1-2-22-16(13-7-4-3-5-8-13)20-21-17(22)25-12-15(23)19-18-11-14-9-6-10-24-14/h3-11H,2,12H2,1H3,(H,19,23)/b18-11+
InChIKey JTNCVAOUSIUHMU-WOJGMQOQSA-N
Mol Weight 371.48 g/mol
Molecular Formula C17H17N5OS2
Exact Mass 371.087453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mVEBxiamiy
Name Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-2-thienylmethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.087452534 u
Formula C17H17N5OS2
InChI InChI=1S/C17H17N5OS2/c1-2-22-16(13-7-4-3-5-8-13)20-21-17(22)25-12-15(23)19-18-11-14-9-6-10-24-14/h3-11H,2,12H2,1H3,(H,19,23)/b18-11+
InChIKey JTNCVAOUSIUHMU-WOJGMQOQSA-N
Molecular Weight 371.477 g/mol
SMILES N(\N=C\C=1SC=CC1)C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC)=O