(2E)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-2-propenethioamide

SpectraBase Compound ID	1kKMXt2wNXl
InChI	InChI=1S/C16H10ClN3O2S2/c17-12-2-4-13(5-3-12)24-15-6-1-10(8-14(15)20(21)22)7-11(9-18)16(19)23/h1-8H,(H2,19,23)/b11-7+
InChIKey	MERRLSPOHJAGMS-YRNVUSSQSA-N Google Search
Mol Weight	375.85 g/mol
Molecular Formula	C16H10ClN3O2S2
Exact Mass	374.990297 g/mol

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SpectraBase Spectrum ID	6hCSYknGAjp
Name	(2E)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-2-propenethioamide
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/C16H10ClN3O2S2/c17-12-2-4-13(5-3-12)24-15-6-1-10(8-14(15)20(21)22)7-11(9-18)16(19)23/h1-8H,(H2,19,23)/b11-7+
InChIKey	MERRLSPOHJAGMS-YRNVUSSQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35041
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: E83292; SBI_ID: SBI-035045
Synonyms	3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-2-propenethioamide
Temperature	298 °C