![4-methylbenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide](/api/spectrum/1nElSSnHvtJ/structure.png?h=300&w=458 "4-methylbenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide")
| SpectraBase Compound ID | GMEhUjNFfES |
|---|---|
| InChI | InChI=1S/C17H14N4S/c1-11-6-8-12(9-7-11)10-22-17-19-16-15(20-21-17)13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,18,19,21) |
| InChIKey | CVFHIKAWXVSYQW-UHFFFAOYSA-N |
| Mol Weight | 306.39 g/mol |
| Molecular Formula | C17H14N4S |
| Exact Mass | 306.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nElSSnHvtJ |
|---|---|
| Name | 4-Methylbenzyl 5H-[1,2,4]triazino[5,6-B]indol-3-yl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.093917641 u |
| Formula | C17H14N4S |
| InChI | InChI=1S/C17H14N4S/c1-11-6-8-12(9-7-11)10-22-17-19-16-15(20-21-17)13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,18,19,21) |
| InChIKey | CVFHIKAWXVSYQW-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2C=2C1=NC(=NN2)SCC1=CC=C(C=C1)C |