![6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetone](/api/spectrum/BvOhjgBVwOa/structure.png?h=300&w=458 "6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetone")
| SpectraBase Compound ID | ItuYUsmY4gv |
|---|---|
| InChI | InChI=1S/C14H14N4OS/c1-9(19)7-20-14-12(6-15)10-4-2-3-5-11(10)13-17-16-8-18(13)14/h8H,2-5,7H2,1H3 |
| InChIKey | DDMNECXMYMKJNV-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C14H14N4OS |
| Exact Mass | 286.088832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BvOhjgBVwOa |
|---|---|
| Name | 6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetone |
| Alternate Name(s) | 5-(2-oxopropylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-(2-oxopropylsulfanyl)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-Acetonylsulfanyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-(2-oxidanylidenepropylsulfanyl)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14N4OS |
| InChI | InChI=1S/C14H14N4OS/c1-9(19)7-20-14-12(6-15)10-4-2-3-5-11(10)13-17-16-8-18(13)14/h8H,2-5,7H2,1H3 |
| InChIKey | DDMNECXMYMKJNV-UHFFFAOYSA-N |
| Molecular Weight | 286.353 g/mol |
| SMILES | C=1([n]2c(C3=C(C1C#N)CCCC3)nnc2)SCC(=O)C |
| SPLASH | splash10-000i-0090000000-14a1f91d7a08e0bc3c67 |
| Source of Spectrum | F2-46-574-12d |
| Wiley ID | 1690130 |