| SpectraBase Compound ID | D0E1BRLobZR |
|---|---|
| InChI | InChI=1S/C15H10ClN5S/c16-10-5-7-11(8-6-10)21-9-14(22-15-17-19-20-18-15)12-3-1-2-4-13(12)21/h1-9H,(H,17,18,19,20) |
| InChIKey | VSZBBDUTASIKLP-UHFFFAOYSA-N |
| Mol Weight | 327.79 g/mol |
| Molecular Formula | C15H10ClN5S |
| Exact Mass | 327.034544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGAQYZbgDA9 |
|---|---|
| Name | 3-((1H-Tetrazol-5-yl)thio)-1-(4-chlorophenyl)-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.034544216 u |
| Formula | C15H10ClN5S |
| InChI | InChI=1S/C15H10ClN5S/c16-10-5-7-11(8-6-10)21-9-14(22-15-17-19-20-18-15)12-3-1-2-4-13(12)21/h1-9H,(H,17,18,19,20) |
| InChIKey | VSZBBDUTASIKLP-UHFFFAOYSA-N |
| Molecular Weight | 327.793 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=CN2C1=CC=C(C=C1)Cl)SC=1NN=NN1 |