4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide

SpectraBase Compound ID	BHLlejsK5mq
InChI	InChI=1S/C21H19N5S2/c1-2-12-26-18(14-8-4-3-5-9-14)24-25-21(26)28-20-17-15-10-6-7-11-16(15)27-19(17)22-13-23-20/h2-5,8-9,13H,1,6-7,10-12H2
InChIKey	PQAQQYGOSAGJRR-UHFFFAOYSA-N Google Search
Mol Weight	405.54 g/mol
Molecular Formula	C21H19N5S2
Exact Mass	405.108188 g/mol

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SpectraBase Spectrum ID	BmAPUJ0gvIB
Name	4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
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/C21H19N5S2/c1-2-12-26-18(14-8-4-3-5-9-14)24-25-21(26)28-20-17-15-10-6-7-11-16(15)27-19(17)22-13-23-20/h2-5,8-9,13H,1,6-7,10-12H2
InChIKey	PQAQQYGOSAGJRR-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_14064
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: MAY-13/0148; UBI_ID: UBI-014067
Synonyms	4-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Temperature	318 °C