Chem
J-GLOBAL ID:200907076210371210   Nikkaji number:J1.772.109G

3-(Diethylamino)-4-(4-methoxyphenyl)-5-[3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-5-yl]-4,5-dihydroisothiazole 1,1-dioxide

3-(ジエチルアミノ)-4-(4-メトキシフェニル)-5-[3-(2,4,6-トリメチルフェニル)-4,5-ジヒドロイソオキサゾール-5-イル]-4,5-ジヒドロイソチアゾール1,1-ジオキシド
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: C26H33N3O2[O-]2[S+2]
Molecular formula furigana: C26-H33-N3-O4-S
Molecular weight: 483.630
InChI: InChI=1S/C26H33N3O4S/c1-7-29(8-2)26-24(19-9-11-20(32-6)12-10-19)25(34(30,31)28-26)22-15-21(27-33-22)23-17(4)13-16(3)14-18(23)5/h9-14,22,24-25H,7-8,15H2,1-6H3
InChI key: UWOMOMZPZJJCBL-UHFFFAOYSA-N
SMILES: CCN(CC)C1=N[S+2]([O-])([O-])C(C2CC(=NO2)c2c(C)cc(C)cc2C)C1c1ccc(OC)cc1
Systematic name  (3):
  • 3-(ジエチルアミノ)-4-(4-メトキシフェニル)-5-[3-(2,4,6-トリメチルフェニル)-4,5-ジヒドロイソオキサゾール-5-イル]-4,5-ジヒドロイソチアゾール1,1-ジオキシド
  • 3-(ジエチルアミノ)-4-(4-メトキシフェニル)-5-[3-(2,4,6-トリメチルフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-イル]-4,5-ジヒドロ-1H-1,2-チアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • 3-(diethylamino)-4-(4-methoxyphenyl)-5-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-4,5-dihydro-1H-1,2-thiazole-1,1-diium-1,1-bis(olate)
Other name (1):
  • 3-(Diethylamino)-4-(4-methoxyphenyl)-5-[3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-5-yl]-4,5-dihydroisothiazole 1,1-dioxide
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