Chem
J-GLOBAL ID：200907097200580366   Nikkaji number：J1.614.585H

2-[3-[2′-(1H-Tetrazole-5-yl)-4-biphenylylmethyl]-5-ethyl-2,3-dihydro-1,3,4-thiadiazole-2-ylideneaminocarbonyl]-1-cyclopentene-1-carboxylic acid

2-[3-[2′-(1H-テトラゾール-5-イル)-4-ビフェニリルメチル]-5-エチル-2,3-ジヒドロ-1,3,4-チアジアゾール-2-イリデンアミノカルボニル]-1-シクロペンテン-1-カルボン酸
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： C25H23N7O3S
Molecular formula furigana： C25-H23-N7-O3-S
Molecular weight： 501.570
InChI： InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)
InChI key： UFZKNCXXIFQTNB-UHFFFAOYSA-N
SMILES： CCc1nn(Cc2ccc(cc2)c2ccccc2c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(=O)O)s1
Systematic name  (3)：
  • 2-[3-[2′-(1H-テトラゾール-5-イル)-4-ビフェニリルメチル]-5-エチル-2,3-ジヒドロ-1,3,4-チアジアゾール-2-イリデンアミノカルボニル]-1-シクロペンテン-1-カルボン酸
  • 2-[(5-エチル-3-{[2'-(1H-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}-2,3-ジヒドロ-1,3,4-チアジアゾール-2-イリデン)カルバモイル]シクロペンタ-1-エン-1-カルボン酸
  • 2-[(5-ethyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)carbamoyl]cyclopent-1-ene-1-carboxylic acid
Other name (1)：
  • 2-[3-[2′-(1H-Tetrazole-5-yl)-4-biphenylylmethyl]-5-ethyl-2,3-dihydro-1,3,4-thiadiazole-2-ylideneaminocarbonyl]-1-cyclopentene-1-carboxylic acid
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