3-(methylsulfanyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	9fx7vXgmCc3
InChI	InChI=1S/C17H13N5O4S/c1-27-17-20-19-16(11-5-3-2-4-6-11)21(17)18-9-12-7-14-15(26-10-25-14)8-13(12)22(23)24/h2-9H,10H2,1H3/b18-9+
InChIKey	UBJMBDVFFLNEGR-GIJQJNRQSA-N Google Search
Mol Weight	383.38 g/mol
Molecular Formula	C17H13N5O4S
Exact Mass	383.068825 g/mol

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SpectraBase Spectrum ID	18Ucr7rBmZ1
Name	3-(methylsulfanyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-4H-1,2,4-triazol-4-amine
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/C17H13N5O4S/c1-27-17-20-19-16(11-5-3-2-4-6-11)21(17)18-9-12-7-14-15(26-10-25-14)8-13(12)22(23)24/h2-9H,10H2,1H3/b18-9+
InChIKey	UBJMBDVFFLNEGR-GIJQJNRQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1593
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/8024478; UBI_ID: UBI-001594
Synonyms	N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amine3-(methylsulfanyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-4H-1,2,4-triazol-4-amine
Temperature	308 °C