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4-(3-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol

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4-(3-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID IpHRkzzCVs1
InChI InChI=1S/C17H17N3S2/c1-11-5-4-6-12(9-11)20-16(18-19-17(20)21)14-10-22-15-8-3-2-7-13(14)15/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)
InChIKey BXTRVFTYWUURSR-UHFFFAOYSA-N
Mol Weight 327.46 g/mol
Molecular Formula C17H17N3S2
Exact Mass 327.08639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID APXiitHYxIq
Name 4-(3-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol
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/C17H17N3S2/c1-11-5-4-6-12(9-11)20-16(18-19-17(20)21)14-10-22-15-8-3-2-7-13(14)15/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)
InChIKey BXTRVFTYWUURSR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6419
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/1267614; Labnumber: COL1529; UZI_ID: UZI-006421
Synonyms 4-(3-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C