Chem
J-GLOBAL ID:200907009949224349
Nikkaji number:J2.121.355A
[[6-(4,5-Dicyano-1-methyl-1H-imidazole-2-ylazo)-1-methyl-1,2,3,4-tetrahydroquinoline-7-yl](trifluoromethylsulfonyl)amineanion]
[[6-(4,5-ジシアノ-1-メチル-1H-イミダゾール-2-イルアゾ)-1-メチル-1,2,3,4-テトラヒドロキノリン-7-イル](トリフルオロメチルスルホニル)アミンアニオン]
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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:
C17 H14 F3 N7 [N-]O2 S
Molecular formula furigana:
C17-H14-F3-N8-O2-S
Molecular weight:
451.410
InChI:
InChI=1S/C17H14F3N8O2S/c1-27-5-3-4-10-6-11(12(7-14(10)27)26-31(29,30)17(18,19)20)24-25-16-23-13(8-21)15(9-22)28(16)2/h6-7H,3-5H2,1-2H3/q-1
InChI key:
DBEKRPNAZUOODN-UHFFFAOYSA-N
SMILES:
CN1CCCc2cc(N=Nc3nc(C#N)c(C#N)n3C)c([N-]S(=O)(=O)C(F)(F)F)cc12
Systematic name (3):
[[6-(4,5-ジシアノ-1-メチル-1H-イミダゾール-2-イルアゾ)-1-メチル-1,2,3,4-テトラヒドロキノリン-7-イル](トリフルオロメチルスルホニル)アミンアニオン]
1-メチル-2-{2-[1-メチル-7-(トリフルオロメタンスルホニルアザニジル)-1,2,3,4-テトラヒドロキノリン-6-イル]ジアゼン-1-イル}-1H-イミダゾール-4,5-ジカルボニトリル
1-methyl-2-{2-[1-methyl-7-(trifluoromethanesulfonylazanidyl)-1,2,3,4-tetrahydroquinolin-6-yl]diazen-1-yl}-1H-imidazole-4,5-dicarbonitrile
Other name (1):
[[6-(4,5-Dicyano-1-methyl-1H-imidazole-2-ylazo)-1-methyl-1,2,3,4-tetrahydroquinoline-7-yl](trifluoromethylsulfonyl)amineanion]
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