Chem
J-GLOBAL ID：201207010536844288   Nikkaji number：J3.094.910B

3-(2-Thienyl)-5,10-dimethyl-8-isopropyl-3,6,9,10a-tetrahydro-6α,9α-ethanobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile

3-(2-チエニル)-5,10-ジメチル-8-イソプロピル-3,6,9,10a-テトラヒドロ-6α,9α-エタノベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
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： C33H22N8S
Molecular formula furigana： C33-H22-N8-S
Molecular weight： 562.660
InChI： InChI=1S/C33H22N8S/c1-18(2)21-8-23-19(3)26-22-9-24(25-6-5-7-42-25)31(12-36,13-37)32(14-38,15-39)28(22)20(4)27(26)29(21)33(16-40,17-41)30(23,10-34)11-35/h5-9,18,23-24,28-29H,1-4H3/t23-,24?,28?,29+/m1/s1
InChI key： FFNXIRWIWHSVRK-UQPCLSKJSA-N
SMILES： CC(C)C1=C[C@@H]2C(=C3C4=CC(c5cccs5)C(C#N)(C#N)C(C#N)(C#N)C4C(=C3[C@H]1C(C#N)(C#N)C2(C#N)C#N)C)C
Systematic name  (3)：
  • 3-(2-チエニル)-5,10-ジメチル-8-イソプロピル-3,6,9,10a-テトラヒドロ-6α,9α-エタノベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
  • (1S,12R)-3,11-ジメチル-15-(プロパン-2-イル)-7-(チオフェン-2-イル)テトラシクロ[10.2.2.02,10.04,9]ヘキサデカ-2,8,10,15-テトラエン-5,5,6,6,13,13,14,14-オクタカルボニトリル
  • (1S,12R)-3,11-dimethyl-15-(propan-2-yl)-7-(thiophen-2-yl)tetracyclo[10.2.2.02,10.04,9]hexadeca-2,8,10,15-tetraen-5,5,6,6,13,13,14,14-octacarbonitrile
Other name (1)：
  • 3-(2-Thienyl)-5,10-dimethyl-8-isopropyl-3,6,9,10a-tetrahydro-6α,9α-ethanobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile
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