![N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-thiophenecarboxamide](/api/spectrum/5ujgLoVVtNT/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]-2-thiophenecarboxamide")
| SpectraBase Compound ID | 887zaU9vL9m |
|---|---|
| InChI | InChI=1S/C17H13F6N3OS2/c18-16(19,20)15(17(21,22)23,25-13(27)12-6-3-7-28-12)26-14-10(8-24)9-4-1-2-5-11(9)29-14/h3,6-7,26H,1-2,4-5H2,(H,25,27) |
| InChIKey | XEGLTKUPVKLBRK-UHFFFAOYSA-N |
| Mol Weight | 453.42 g/mol |
| Molecular Formula | C17H13F6N3OS2 |
| Exact Mass | 453.040423 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ujgLoVVtNT |
|---|---|
| Name | N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-thiophenecarboxamide |
| CAS Registry Number | 309731-56-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H13F6N3OS2 |
| InChI | InChI=1S/C17H13F6N3OS2/c18-16(19,20)15(17(21,22)23,25-13(27)12-6-3-7-28-12)26-14-10(8-24)9-4-1-2-5-11(9)29-14/h3,6-7,26H,1-2,4-5H2,(H,25,27) |
| InChIKey | XEGLTKUPVKLBRK-UHFFFAOYSA-N |
| Molecular Weight | 453.421 g/mol |
| SMILES | N(c1c(c2CCCCc2s1)C#N)C(NC(c1sccc1)=O)(C(F)(F)F)C(F)(F)F |
| SPLASH | splash10-03di-6912100000-c1e01789a69fb341614c |
| 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]thiophene-2-carboxamide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-thiophenecarboxamide N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]thiophene-2-carboxamide 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]thiophene-2-carboxamide Thiophene-2-carboxamide, N-[1-(4,5,6,7-tetrahydro-3-cyano-2-benzothienylamino)-2,2,2-trifluoro-1-trifluoromethyl)ethyl]- |
| Wiley ID | 1429389 |