Chem
J-GLOBAL ID：200907001548988043   Nikkaji number：J1.955.870C

5β-Chloro-6β-ethenyl-4β-isopropenyl-2α-(1H-indole-3-yl)-6-methylcyclohexane-1α-yl isothiocyanate

5β-クロロ-6β-エテニル-4β-イソプロペニル-2α-(1H-インドール-3-イル)-6-メチルシクロヘキサン-1α-イルイソチオシアナート
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： C21H23ClN2S
Molecular formula furigana： C21-H23-CL-N2-S
Molecular weight： 370.940
InChI： InChI=1S/C21H23ClN2S/c1-5-21(4)19(22)15(13(2)3)10-16(20(21)24-12-25)17-11-23-18-9-7-6-8-14(17)18/h5-9,11,15-16,19-20,23H,1-2,10H2,3-4H3/t15-,16-,19+,20+,21+/m0/s1
InChI key： VXIRYULLFGPOJG-BQDHWQRKSA-N
SMILES： CC(=C)[C@@H]1C[C@H]([C@@H](N=C=S)[C@](C)(C=C)[C@@H]1Cl)c1c[nH]c2ccccc12
Systematic name  (3)：
  • 5β-クロロ-6β-エテニル-4β-イソプロペニル-2α-(1H-インドール-3-イル)-6-メチルシクロヘキサン-1α-イルイソチオシアナート
  • 3-[(1S,2R,3S,4R,5S)-4-クロロ-3-エテニル-2-イソチオシアナト-3-メチル-5-(プロパ-1-エン-2-イル)シクロヘキシル]-1H-インドール
  • 3-[(1S,2R,3S,4R,5S)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-5-(prop-1-en-2-yl)cyclohexyl]-1H-indole
Other name (1)：
  • 5β-Chloro-6β-ethenyl-4β-isopropenyl-2α-(1H-indole-3-yl)-6-methylcyclohexane-1α-yl isothiocyanate
Thsaurus map：
Thesaurus Map

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