Chem
J-GLOBAL ID：200907041514330350
Nikkaji number：J471.176I
4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile
4H-ピロロ[2,1-c][1,4]ベンゾチアジン-4-カルボニトリル
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： C12H8N2S
Molecular formula furigana： C12-H8-N2-S
Molecular weight： 212.270
InChI：
InChI=1S/C12H8N2S/c13-8-12-10-5-3-7-14(10)9-4-1-2-6-11(9)15-12/h1-7,12H
InChI key：
YAPOHDRLWFYBPW-UHFFFAOYSA-N
SMILES：
N#CC1Sc2ccccc2n2cccc12
Systematic name (3)：
- 4H-ピロロ[2,1-c][1,4]ベンゾチアジン-4-カルボニトリル
- 8-チア-2-アザトリシクロ[7.4.0.02,6]トリデカ-1(13),3,5,9,11-ペンタエン-7-カルボニトリル
- 8-thia-2-azatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaene-7-carbonitrile
- 4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile
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