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5-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
SpectraBase Compound ID 3SqvNKL656L
InChI InChI=1S/C18H15N7S3/c19-15-21-14(22-16(23-15)20-12-7-3-1-4-8-12)11-27-17-24-25(18(26)28-17)13-9-5-2-6-10-13/h1-10H,11H2,(H3,19,20,21,22,23)
InChIKey WTLYLJDRTHXKSU-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C18H15N7S3
Exact Mass 425.055107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GFI0Vx8B8vT
Name 5-{[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]sulfanyl}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.055107033 u
Formula C18H15N7S3
InChI InChI=1S/C18H15N7S3/c19-15-21-14(22-16(23-15)20-12-7-3-1-4-8-12)11-27-17-24-25(18(26)28-17)13-9-5-2-6-10-13/h1-10H,11H2,(H3,19,20,21,22,23)
InChIKey WTLYLJDRTHXKSU-UHFFFAOYSA-N
Molecular Weight 425.547 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_289
Solvent DMSO-d6
Source Vendor ID: NMR/12259989