SpectraBase Spectrum ID |
GBae6vGaKGL |
Name |
1H-Pyrazol-5-ol, 1-(4-methylphenyl)-3-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
364.110630332 u |
Formula |
C18H16N6OS |
InChI |
InChI=1S/C18H16N6OS/c1-13-7-9-16(10-8-13)23-17(25)11-14(20-23)12-26-18-19-21-22-24(18)15-5-3-2-4-6-15/h2-11,25H,12H2,1H3 |
InChIKey |
KGHDKBCSXMRQFJ-UHFFFAOYSA-N |
Molecular Weight |
364.427 g/mol |
SMILES |
OC1=CC(=NN1C=1C=CC(=CC1)C)CSC=1N(N=NN1)C=1C=CC=CC1 |