SpectraBase Compound ID | Jq07UANQkLo |
---|---|
InChI | InChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H |
InChIKey | YXWKBHVLCUEKOU-UHFFFAOYSA-N |
Mol Weight | 344.43 g/mol |
Molecular Formula | C21H16N2OS |
Exact Mass | 344.098334 g/mol |
SpectraBase Spectrum ID | EQn0kEw5PGy |
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Name | 1-[Phenyl(phenylsulfanyl)acetyl]-1H-benzimidazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 344.098334316 u |
Formula | C21H16N2OS |
InChI | InChI=1S/C21H16N2OS/c24-21(23-15-22-18-13-7-8-14-19(18)23)20(16-9-3-1-4-10-16)25-17-11-5-2-6-12-17/h1-15,20H |
InChIKey | YXWKBHVLCUEKOU-UHFFFAOYSA-N |
Molecular Weight | 344.432 g/mol |
SMILES | C1=CC=C(C(C(N2C=NC3=C2C=CC=C3)=O)SC2=CC=CC=C2)C=C1 |