Chem
J-GLOBAL ID：200907041591071899   Nikkaji number：J382.848D

3-[(4-Chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one

3-[(4-クロロフェニル)チオ]-10-メチル-7H-ベンゾイミダゾ[2,1-a]ベンゾ[de]イソキノリン-7-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： C25H15ClN2OS
Molecular formula furigana： C25-H15-CL-N2-O-S
Molecular weight： 426.920
InChI： InChI=1S/C25H15ClN2OS/c1-14-5-11-20-21(13-14)28-24(27-20)18-10-12-22(30-16-8-6-15(26)7-9-16)17-3-2-4-19(23(17)18)25(28)29/h2-13H,1H3
InChI key： OYMNNEJVISLWKF-UHFFFAOYSA-N
SMILES： Cc1ccc2nc3c4ccc(Sc5ccc(Cl)cc5)c5cccc(c45)c(=O)n3c2c1
Systematic name  (3)：
  • 3-[(4-クロロフェニル)チオ]-10-メチル-7H-ベンゾイミダゾ[2,1-a]ベンゾ[de]イソキノリン-7-オン
  • 17-[(4-クロロフェニル)スルファニル]-7-メチル-3,10-ジアザペンタシクロ[10.7.1.02,10.04,9.016,20]イコサ-1(19),2,4,6,8,12(20),13,15,17-ノナエン-11-オン
  • 17-[(4-chlorophenyl)sulfanyl]-7-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
Other name (1)：
  • 3-[(4-Chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
CAS registry number： 97416-81-4
Regulation number (1)：
  • EINECS3068297
Thsaurus map：
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