Chem
J-GLOBAL ID：200907048310478124   Nikkaji number：J2.537.490H

Nec-1

Nec-1
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： C13H13N3OS
Molecular formula furigana： C13-H13-N3-O-S
Molecular weight： 259.329
InChI： InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
InChI key： TXUWMXQFNYDOEZ-UHFFFAOYSA-N
SMILES： CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Systematic name  (4)：
  • 5-(1H-インドール-3-イルメチル)-3-メチル-2-チオキソ-4-イミダゾリジノン
  • 2-チオキソ-3-メチル-5-(1H-インドール-3-イルメチル)イミダゾリジン-4-オン
  • 5-[(1H-インドール-3-イル)メチル]-3-メチル-2-スルファニリデンイミダゾリジン-4-オン
  • 5-[(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
Other name (7)：
  • 5-(1H-Indole-3-ylmethyl)-3-methyl-2-thioxo-4-imidazolidinone
  • ネクロスタチン1
  • Necrostatin 1
  • Nec-1
  • ネクロスタチン-1
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CAS registry number： 4311-88-0
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