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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(1-methyl-1H-pyrazol-3-yl)carbonyl]thiourea
SpectraBase Compound ID 1niRtjWOC1M
InChI InChI=1S/C16H17N5OS2/c1-9-3-4-10-11(8-17)15(24-13(10)7-9)19-16(23)18-14(22)12-5-6-21(2)20-12/h5-6,9H,3-4,7H2,1-2H3,(H2,18,19,22,23)
InChIKey QSSAECSRIREBAC-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C16H17N5OS2
Exact Mass 359.087453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2tNVLwG6Yi1
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(1-methyl-1H-pyrazol-3-yl)carbonyl]thiourea
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/C16H17N5OS2/c1-9-3-4-10-11(8-17)15(24-13(10)7-9)19-16(23)18-14(22)12-5-6-21(2)20-12/h5-6,9H,3-4,7H2,1-2H3,(H2,18,19,22,23)
InChIKey QSSAECSRIREBAC-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15183
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/6198613; UBI_ID: UBI-015186
Temperature 300 °C