Chem
J-GLOBAL ID:201307001016489971
Nikkaji number:J3.208.467B
NMS-873
3-[[2-メチル-4′-(メチルスルホニル)-4-ビフェニリルオキシ]メチル]-4-(3-ピリジル)-5-(シクロペンチルチオ)-4H-1,2,4-トリアゾール
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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:
C27 H28 N4 O3 S2
Molecular formula furigana:
C27-H28-N4-O3-S2
Molecular weight:
520.669
InChI:
InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
InChI key:
UJGTUKMAJVCBIS-UHFFFAOYSA-N
SMILES:
Cc1cc(OCc2nnc(SC3CCCC3)n2c2cccnc2)ccc1c1ccc(cc1)S(=O)(=O)C
Systematic name (3):
3-[[2-メチル-4′-(メチルスルホニル)-4-ビフェニリルオキシ]メチル]-4-(3-ピリジル)-5-(シクロペンチルチオ)-4H-1,2,4-トリアゾール
3-[3-(シクロペンチルスルファニル)-5-[({4'-メタンスルホニル-2-メチル-[1,1'-ビフェニル]-4-イル}オキシ)メチル]-4H-1,2,4-トリアゾール-4-イル]ピリジン
3-[3-(cyclopentylsulfanyl)-5-[({4'-methanesulfonyl-2-methyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-4H-1,2,4-triazol-4-yl]pyridine
Other name (2):
3-[[2-Methyl-4′-(methylsulfonyl)-4-biphenylyloxy]methyl]-4-(3-pyridyl)-5-(cyclopentylthio)-4H-1,2,4-triazole
NMS-873
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