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N-[1-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-thiophenecarboxamide

View entire compound with spectra: 1 MS (GC)

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)

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
Alternate Name(s) 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]-
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
Wiley ID 1429389