![N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]pentanamide](/api/spectrum/LGZdctKuQST/structure.png?h=300&w=458 "N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]pentanamide")
| SpectraBase Compound ID | EfHPXzqty7c |
|---|---|
| InChI | InChI=1S/C17H19F6N3OS/c1-2-3-8-13(27)25-15(16(18,19)20,17(21,22)23)26-14-11(9-24)10-6-4-5-7-12(10)28-14/h26H,2-8H2,1H3,(H,25,27) |
| InChIKey | XCGMNSNZNLRUHP-UHFFFAOYSA-N |
| Mol Weight | 427.41 g/mol |
| Molecular Formula | C17H19F6N3OS |
| Exact Mass | 427.115302 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LGZdctKuQST |
|---|---|
| Name | N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]pentanamide |
| CAS Registry Number | 309730-89-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H19F6N3OS |
| InChI | InChI=1S/C17H19F6N3OS/c1-2-3-8-13(27)25-15(16(18,19)20,17(21,22)23)26-14-11(9-24)10-6-4-5-7-12(10)28-14/h26H,2-8H2,1H3,(H,25,27) |
| InChIKey | XCGMNSNZNLRUHP-UHFFFAOYSA-N |
| Molecular Weight | 427.409 g/mol |
| SMILES | N(c1c(c2CCCCc2s1)C#N)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCCC |
| SPLASH | splash10-056u-9502000000-9d25d2b2108a211ba7e0 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]pentanamide N-[1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]valeramide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]pentanamide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]pentanamide Pentanamide, N-[1-(4,5,6,7-tetrahydro-3-cyano-2-benzothienylamino)-2,2,2-trifluoro-1-trifluoromethyl]ethyl- |
| Wiley ID | 1429797 |