Chem
J-GLOBAL ID：200907055604625164   Nikkaji number：J415.498C

2-[4-[(Acetyl)phenylamino]-1,3-butanedienyl]-3-ethylbenzothiazol-3-ium

2-[4-[(アセチル)フェニルアミノ]-1,3-ブタンジエニル]-3-エチルベンゾチアゾール-3-イウム
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： C21H21N[N+]OS
Molecular formula furigana： C21-H21-N2-O-S
Molecular weight： 349.470
InChI： InChI=1S/C21H21N2OS/c1-3-22-19-13-7-8-14-20(19)25-21(22)15-9-10-16-23(17(2)24)18-11-5-4-6-12-18/h4-16H,3H2,1-2H3/q+1
InChI key： HGMUBLQOIQNRPO-UHFFFAOYSA-N
SMILES： CC[n+]1c(C=CC=CN(C(=O)C)c2ccccc2)sc2ccccc12
Systematic name  (3)：
  • 2-[4-[(アセチル)フェニルアミノ]-1,3-ブタンジエニル]-3-エチルベンゾチアゾール-3-イウム
  • 3-エチル-2-[4-(N-フェニルアセトアミド)ブタ-1,3-ジエン-1-イル]-1,3-ベンゾチアゾール-3-イウム
  • 3-ethyl-2-[4-(N-phenylacetamido)buta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[4-[(Acetyl)phenylamino]-1,3-butanedienyl]-3-ethylbenzothiazol-3-ium
Thsaurus map：
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