Chem
J-GLOBAL ID：201207034728044176
Nikkaji number：J3.096.653H
7,7′-[1,4-Butanediylbis[oxy(2,1-phenylene)]]bis(3-phenyl-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4-one)
7,7′-[1,4-ブタンジイルビス[オキシ(2,1-フェニレン)]]ビス(3-フェニル-4H,8H-[1,2,4]トリアジノ[3,4-b][1,3,4]チアジアジン-4-オン)
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
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
Molecular formula： C38H30N8O4S2
Molecular formula furigana： C38-H30-N8-O4-S2
Molecular weight： 726.830
InChI：
InChI=1S/C38H30N8O4S2/c47-35-33(25-13-3-1-4-14-25)39-41-37-45(35)43-29(23-51-37)27-17-7-9-19-31(27)49-21-11-12-22-50-32-20-10-8-18-28(32)30-24-52-38-42-40-34(36(48)46(38)44-30)26-15-5-2-6-16-26/h1-10,13-20H,11-12,21-24H2
InChI key：
XPJWTSHBXVTBFK-UHFFFAOYSA-N
SMILES：
O=c1c(nnc2SCC(=Nn12)c1ccccc1OCCCCOc1ccccc1C1=Nn2c(SC1)nnc(c1ccccc1)c2=O)c1ccccc1
Systematic name (3)：
- 7,7′-[1,4-ブタンジイルビス[オキシ(2,1-フェニレン)]]ビス(3-フェニル-4H,8H-[1,2,4]トリアジノ[3,4-b][1,3,4]チアジアジン-4-オン)
- 7-{2-[4-(2-{4-オキソ-3-フェニル-4H,8H-[1,2,4]トリアジノ[3,4-b][1,3,4]チアジアジン-7-イル}フェノキシ)ブトキシ]フェニル}-3-フェニル-4H,8H-[1,2,4]トリアジノ[3,4-b][1,3,4]チアジアジン-4-オン
- 7-{2-[4-(2-{4-oxo-3-phenyl-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl}phenoxy)butoxy]phenyl}-3-phenyl-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
- 7,7′-[1,4-Butanediylbis[oxy(2,1-phenylene)]]bis(3-phenyl-4H,8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazine-4-one)
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