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2-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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2-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID Dlt3J16oEw9
InChI InChI=1S/C23H21N3OS2/c1-27-20-10-9-16(12-17(20)15-28-22-8-4-5-11-25-22)14-26-23-19(13-24)18-6-2-3-7-21(18)29-23/h4-5,8-12,14H,2-3,6-7,15H2,1H3/b26-14+
InChIKey IUTLZNCDZLVURV-VULFUBBASA-N
Mol Weight 419.56 g/mol
Molecular Formula C23H21N3OS2
Exact Mass 419.112605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CsfruWm7q1C
Name 2-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-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/C23H21N3OS2/c1-27-20-10-9-16(12-17(20)15-28-22-8-4-5-11-25-22)14-26-23-19(13-24)18-6-2-3-7-21(18)29-23/h4-5,8-12,14H,2-3,6-7,15H2,1H3/b26-14+
InChIKey IUTLZNCDZLVURV-VULFUBBASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11241
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/8066295; Labnumber: NAP-0001574; UZI_ID: UZI-011243
Synonyms 2-[({4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature 313 °C