Chem
J-GLOBAL ID:200907099158900412
Nikkaji number:J1.589.163G
NNC-11-1314
3-(1-アザビシクロ[2.2.2]オクタン-3-イル)-4-(3-フェニル-2-プロピニルオキシ)-1,2,5-チアジアゾール
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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:
C18 H19 N3 OS
Molecular formula furigana:
C18-H19-N3-O-S
Molecular weight:
325.430
InChI:
InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2
InChI key:
SNSMIIQEKVYNOH-UHFFFAOYSA-N
SMILES:
C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1
Systematic name (3):
3-(1-アザビシクロ[2.2.2]オクタン-3-イル)-4-(3-フェニル-2-プロピニルオキシ)-1,2,5-チアジアゾール
3-{4-[(3-フェニルプロパ-2-イン-1-イル)オキシ]-1,2,5-チアジアゾール-3-イル}-1-アザビシクロ[2.2.2]オクタン
3-{4-[(3-phenylprop-2-yn-1-yl)oxy]-1,2,5-thiadiazol-3-yl}-1-azabicyclo[2.2.2]octane
Other name (2):
3-(1-Azabicyclo[2.2.2]octane-3-yl)-4-(3-phenyl-2-propynyloxy)-1,2,5-thiadiazole
NNC-11-1314
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