Chem
J-GLOBAL ID:200907050185901111   Nikkaji number:J2.301.975B

3-[4-[8-(4-Methylphenyl)-7,8-dihydro-1,2,4-triazolo[3,4-b][1,3,4]thiadiazepine-6-yl]phenyl]-5-methyl-1,3,4-oxadiazole-2(3H)-one

3-[4-[8-(4-メチルフェニル)-7,8-ジヒドロ-1,2,4-トリアゾロ[3,4-b][1,3,4]チアジアゼピン-6-イル]フェニル]-5-メチル-1,3,4-オキサジアゾール-2(3H)-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: C21H18N6O2S
Molecular formula furigana: C21-H18-N6-O2-S
Molecular weight: 418.480
InChI: InChI=1S/C21H18N6O2S/c1-13-3-5-16(6-4-13)19-11-18(25-26-12-22-23-20(26)30-19)15-7-9-17(10-8-15)27-21(28)29-14(2)24-27/h3-10,12,19H,11H2,1-2H3
InChI key: YKCHLBICTFMZON-UHFFFAOYSA-N
SMILES: Cc1nn(c2ccc(cc2)C2=Nn3cnnc3SC(C2)c2ccc(C)cc2)c(=O)o1
Systematic name  (3):
  • 3-[4-[8-(4-メチルフェニル)-7,8-ジヒドロ-1,2,4-トリアゾロ[3,4-b][1,3,4]チアジアゼピン-6-イル]フェニル]-5-メチル-1,3,4-オキサジアゾール-2(3H)-オン
  • 5-メチル-3-{4-[8-(4-メチルフェニル)-7H,8H-[1,2,4]トリアゾロ[3,4-b][1,3,4]チアジアゼピン-6-イル]フェニル}-2,3-ジヒドロ-1,3,4-オキサジアゾール-2-オン
  • 5-methyl-3-{4-[8-(4-methylphenyl)-7H,8H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-one
Other name (1):
  • 3-[4-[8-(4-Methylphenyl)-7,8-dihydro-1,2,4-triazolo[3,4-b][1,3,4]thiadiazepine-6-yl]phenyl]-5-methyl-1,3,4-oxadiazole-2(3H)-one
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