Chem
J-GLOBAL ID：200907003344756782
Nikkaji number：J1.064.039C
3,6,12-Trithia-9-azabicyclo[12.4.0]octadecane-1(18),14,16-triene-8-one
3,6,12-トリチア-9-アザビシクロ[12.4.0]オクタデカン-1(18),14,16-トリエン-8-オン
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
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
Molecular formula： C14H19NOS3
Molecular formula furigana： C14-H19-N-O-S3
Molecular weight： 313.490
InChI：
InChI=1S/C14H19NOS3/c16-14-11-19-8-7-18-10-13-4-2-1-3-12(13)9-17-6-5-15-14/h1-4H,5-11H2,(H,15,16)
InChI key：
CIWSAOXJYUEGPD-UHFFFAOYSA-N
SMILES：
O=C1CSCCSCc2ccccc2CSCCN1
Systematic name (3)：
- 3,6,12-トリチア-9-アザビシクロ[12.4.0]オクタデカン-1(18),14,16-トリエン-8-オン
- 3,4,6,7,8,9,10,12-オクタヒドロ-1H-2,5,11,8-ベンゾトリチアザシクロテトラデシン-7-オン
- 3,4,6,7,8,9,10,12-octahydro-1H-2,5,11,8-benzotrithiazacyclotetradecin-7-one
- 3,6,12-Trithia-9-azabicyclo[12.4.0]octadecane-1(18),14,16-triene-8-one
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