![3-(Isopropylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole](/api/spectrum/6MirYU5Vdrx/structure.png?h=300&w=458 "3-(Isopropylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole")
| SpectraBase Compound ID | 5VZi0MXVkPp |
|---|---|
| InChI | InChI=1S/C13H14N4S/c1-8(2)18-13-14-12-11(15-16-13)9-6-4-5-7-10(9)17(12)3/h4-8H,1-3H3 |
| InChIKey | NYABXNLYFVTZRD-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C13H14N4S |
| Exact Mass | 258.093918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6MirYU5Vdrx |
|---|---|
| Name | 3-(Isopropylsulfanyl)-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| CAS Registry Number | 312267-08-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14N4S |
| InChI | InChI=1S/C13H14N4S/c1-8(2)18-13-14-12-11(15-16-13)9-6-4-5-7-10(9)17(12)3/h4-8H,1-3H3 |
| InChIKey | NYABXNLYFVTZRD-UHFFFAOYSA-N |
| Molecular Weight | 258.343 g/mol |
| SMILES | c12c(c3ccccc3[n]2C)nnc(n1)SC(C)C |
| SPLASH | splash10-000f-5930000000-31639262e9220eaedae4 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1,2,4-Triazino[5,6-b]indole, 3-isopropylthio-5-methyl- 3-(isopropylthio)-5-methyl-[1,2,4]triazin[5,6-b]indole 3-isopropylsulfanyl-5-methyl-[1,2,4]triazino[5,6-b]indole 5-Methyl-3-(propan-2-ylthio)-[1,2,4]triazino[5,6-b]indole 5-Methyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole |
| Wiley ID | 1430887 |