Chem
J-GLOBAL ID：202007013716635654   Nikkaji number：J3.749.910B

(3S,3aR)-1-methyl-3-[4-(methylsulfanyl)phenyl]-3a,4,5,6,7,8-hexahydro-3H-azulen-2-one

(3S,3aR)-1-メチル-3-[4-(メチルスルファニル)フェニル]-3a,4,5,6,7,8-ヘキサヒドロ-3H-アズレン-2-オン
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： C18H22OS
Molecular formula furigana： C18-H22-O-S
Molecular weight： 286.430
InChI： InChI=1S/C18H22OS/c1-12-15-6-4-3-5-7-16(15)17(18(12)19)13-8-10-14(20-2)11-9-13/h8-11,16-17H,3-7H2,1-2H3/t16-,17+/m0/s1
InChI key： DHMCXXLCLWOBDC-DLBZAZTESA-N
SMILES： C1CCC2=C(C(=O)[C@@H]([C@H]2CC1)c1ccc(cc1)SC)C
Systematic name  (3)：
  • (3S,3aR)-1-メチル-3-[4-(メチルチオ)フェニル]-3a,4,5,6,7,8-ヘキサヒドロアズレン-2(3H)-オン
  • (1S,8aR)-3-メチル-1-[4-(メチルスルファニル)フェニル]-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-2-オン
  • (1S,8aR)-3-methyl-1-[4-(methylsulfanyl)phenyl]-1,2,4,5,6,7,8,8a-octahydroazulen-2-one
Other name (2)：
  • (3S,3aR)-1-メチル-3-[4-(メチルスルファニル)フェニル]-3a,4,5,6,7,8-ヘキサヒドロ-3H-アズレン-2-オン
  • (3S,3aR)-1-methyl-3-[4-(methylsulfanyl)phenyl]-3a,4,5,6,7,8-hexahydro-3H-azulen-2-one
Thsaurus map：
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