Chem
J-GLOBAL ID：200907050584089196   Nikkaji number：J2.069.499H

XCT-790

XCT-790
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H13F9N4O3S
Molecular formula furigana： C23-H13-F9-N4-O3-S
Molecular weight： 596.430
InChI： InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)
InChI key： HQFNFOOGGLSBBT-UHFFFAOYSA-N
SMILES： COc1cc(C=C(C#N)C(=O)Nc2nnc(s2)C(F)(F)F)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • N-[5-(トリフルオロメチル)-1,3,4-チアジアゾール-2-イル]-2-シアノ-3-[3-メトキシ-4-[2,4-ジ(トリフルオロメチル)ベンジルオキシ]フェニル]プロペンアミド
  • 3-(4-{[2,4-ビス(トリフルオロメチル)フェニル]メトキシ}-3-メトキシフェニル)-2-シアノ-N-[5-(トリフルオロメチル)-1,3,4-チアジアゾール-2-イル]プロパ-2-エンアミド
  • 3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Other name (3)：
  • N-[5-(Trifluoromethyl)-1,3,4-thiadiazole-2-yl]-2-cyano-3-[3-methoxy-4-[2,4-di(trifluoromethyl)benzyloxy]phenyl]propenamide
  • XCT-790
  • XCT 790
CAS registry number： 725247-18-7
KEGG COMPOUND： C15641
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