Chem
J-GLOBAL ID:200907049363271706   Nikkaji number:J966.151D

(1S,4R)-2-Butyl-3β-(p-tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2β-carbonitrile

(1S,4R)-2-ブチル-3β-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2β-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: C19H23NOS
Molecular formula furigana: C19-H23-N-O-S
Molecular weight: 313.460
InChI: InChI=1S/C19H23NOS/c1-3-4-11-19(13-20)16-8-7-15(12-16)18(19)22(21)17-9-5-14(2)6-10-17/h5-10,15-16,18H,3-4,11-12H2,1-2H3/t15-,16+,18-,19+,22?/m0/s1
InChI key: RRCSNKLIOBPQRP-ASQOYSIHSA-N
SMILES: CCCC[C@@]1(C#N)[C@H]2C[C@H](C=C2)[C@@H]1S(=O)c1ccc(C)cc1
Systematic name  (3):
  • (1S,4R)-2-ブチル-3β-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2β-カルボニトリル
  • (1S,2S,3S,4R)-2-ブチル-3-(4-メチルベンゼンスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2-カルボニトリル
  • (1S,2S,3S,4R)-2-butyl-3-(4-methylbenzenesulfinyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
Other name (1):
  • (1S,4R)-2-Butyl-3β-(p-tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2β-carbonitrile
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