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(2E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide

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(2E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
SpectraBase Compound ID C1xCXmCmPHh
InChI InChI=1S/C17H18N4OS/c1-11-3-5-13-14(8-18)17(23-15(13)7-11)20-16(22)6-4-12-9-19-21(2)10-12/h4,6,9-11H,3,5,7H2,1-2H3,(H,20,22)/b6-4+
InChIKey BPFOCGKULYXCBI-GQCTYLIASA-N
Mol Weight 326.42 g/mol
Molecular Formula C17H18N4OS
Exact Mass 326.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LrlzgnybZrt
Name (2E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
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/C17H18N4OS/c1-11-3-5-13-14(8-18)17(23-15(13)7-11)20-16(22)6-4-12-9-19-21(2)10-12/h4,6,9-11H,3,5,7H2,1-2H3,(H,20,22)/b6-4+
InChIKey BPFOCGKULYXCBI-GQCTYLIASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3376
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: 9315944; UBI_ID: UBI-003377
Synonyms N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
Temperature 318 °C