(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	ICnoVXjQbTx
InChI	InChI=1S/C20H18ClN5OS2/c1-10-7-14(21)5-6-16(10)25-11(2)8-13(12(25)3)9-15-17(22)26-19(23-18(15)27)29-20(24-26)28-4/h5-9,22H,1-4H3/b15-9+,22-17?
InChIKey	DYPPKJAMPKFRTN-WKWHHHHXSA-N Google Search
Mol Weight	443.97 g/mol
Molecular Formula	C20H18ClN5OS2
Exact Mass	443.06413 g/mol

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SpectraBase Spectrum ID	2FTUdpbVxik
Name	(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C20H18ClN5OS2/c1-10-7-14(21)5-6-16(10)25-11(2)8-13(12(25)3)9-15-17(22)26-19(23-18(15)27)29-20(24-26)28-4/h5-9,22H,1-4H3/b15-9+,22-17?
InChIKey	DYPPKJAMPKFRTN-WKWHHHHXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4157
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: E01061; Labnumber: CEP4-1160; SBI_ID: SBI-004159
Synonyms	6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C