2-{2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SpectraBase Compound ID	LN3louMKYmR
InChI	InChI=1S/C26H24N4OS/c1-16-13-19(14-22-17(2)28-30(25(22)31)20-9-5-4-6-10-20)18(3)29(16)26-23(15-27)21-11-7-8-12-24(21)32-26/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3/b22-14-
InChIKey	OFIKLJVQMWKART-HMAPJEAMSA-N Google Search
Mol Weight	440.57 g/mol
Molecular Formula	C26H24N4OS
Exact Mass	440.167083 g/mol

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SpectraBase Spectrum ID	963z2KlA0Ja
Name	2-{2,5-dimethyl-3-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C26H24N4OS/c1-16-13-19(14-22-17(2)28-30(25(22)31)20-9-5-4-6-10-20)18(3)29(16)26-23(15-27)21-11-7-8-12-24(21)32-26/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3/b22-14-
InChIKey	OFIKLJVQMWKART-HMAPJEAMSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_21210
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/9678967; UBI_ID: UBI-021214
Synonyms	2-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature	315 °C