| SpectraBase Compound ID | BESbAtYT3Rr |
|---|---|
| InChI | InChI=1S/C18H14F6N4S/c1-9-6-16(17(19,20)21,18(22,23)24)12(8-26)14(27)28(9)15-11(7-25)10-4-2-3-5-13(10)29-15/h6H,2-5,27H2,1H3 |
| InChIKey | HTIYVXLKEDFKGO-UHFFFAOYSA-N |
| Mol Weight | 432.39 g/mol |
| Molecular Formula | C18H14F6N4S |
| Exact Mass | 432.084337 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jd7e3tqAhAo |
|---|---|
| Name | 2-Amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile |
| CAS Registry Number | 309730-91-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H14F6N4S |
| InChI | InChI=1S/C18H14F6N4S/c1-9-6-16(17(19,20)21,18(22,23)24)12(8-26)14(27)28(9)15-11(7-25)10-4-2-3-5-13(10)29-15/h6H,2-5,27H2,1H3 |
| InChIKey | HTIYVXLKEDFKGO-UHFFFAOYSA-N |
| Molecular Weight | 432.388 g/mol |
| SMILES | NC1=C(C(C=C(N1c1c(c2CCCCc2s1)C#N)C)(C(F)(F)F)C(F)(F)F)C#N |
| SPLASH | splash10-03di-3309000000-2a0c93f7711fc97eca38 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-Amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-3-pyridinecarbonitrile 2-Amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile 2-Amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)nicotinonitrile 2-Amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile 2-Azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(1,4-dihydro-2-amino-3-cyano-4,4-ditrifluoromethyl-6-methyl-1-pyridyl)- |
| Wiley ID | 1429399 |