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

SpectraBase Compound ID	7sJvqtLVwEV
InChI	InChI=1S/C17H13ClN4O2S/c1-25-17-21-20-16(11-5-3-2-4-6-11)22(17)19-9-12-7-14-15(8-13(12)18)24-10-23-14/h2-9H,10H2,1H3/b19-9+
InChIKey	WBKFBDBVXRDNSJ-DJKKODMXSA-N Google Search
Mol Weight	372.83 g/mol
Molecular Formula	C17H13ClN4O2S
Exact Mass	372.044775 g/mol

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SpectraBase Spectrum ID	DKKEI2ICDzZ
Name	N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(methylsulfanyl)-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/C17H13ClN4O2S/c1-25-17-21-20-16(11-5-3-2-4-6-11)22(17)19-9-12-7-14-15(8-13(12)18)24-10-23-14/h2-9H,10H2,1H3/b19-9+
InChIKey	WBKFBDBVXRDNSJ-DJKKODMXSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1561
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/8022322; UBI_ID: UBI-001562
Synonyms	N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]amineN-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Temperature	313 °C