2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide

SpectraBase Compound ID	3bxe7uPuNUf
InChI	InChI=1S/C16H16ClN5O3S/c1-9-14(17)15(22(24)25)20-21(9)8-13(23)19-16-11(7-18)10-5-3-2-4-6-12(10)26-16/h2-6,8H2,1H3,(H,19,23)
InChIKey	KYZHLSBJOAVKSC-UHFFFAOYSA-N Google Search
Mol Weight	393.85 g/mol
Molecular Formula	C16H16ClN5O3S
Exact Mass	393.066238 g/mol

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SpectraBase Spectrum ID	9Zg0AjkVAFe
Name	2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C16H16ClN5O3S/c1-9-14(17)15(22(24)25)20-21(9)8-13(23)19-16-11(7-18)10-5-3-2-4-6-12(10)26-16/h2-6,8H2,1H3,(H,19,23)
InChIKey	KYZHLSBJOAVKSC-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16269
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/8089301; UBI_ID: UBI-016272
Temperature	308 °C