Chem
J-GLOBAL ID:200907007835274742
Nikkaji number:J2.406.972I
(4R)-2′,5′-Diphenyl-4′α-(4-bromophenyl)-2,2′,3,4′-tetrahydrospiro[1-benzothiepin-4(5H),3′-[3H]pyrazole]-5-one
(4R,4'S)-4'-(4-ブロモフェニル)-2',5'-ジフェニル-2',3,4',5-テトラヒドロ-2H-スピロ[1-ベンゾチエピン-4,3'-ピラゾール]-5-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:
C30 H23 BrN2 OS
Molecular formula furigana:
C30-H23-BR-N2-O-S
Molecular weight:
539.490
InChI:
InChI=1S/C30H23BrN2OS/c31-23-17-15-21(16-18-23)27-28(22-9-3-1-4-10-22)32-33(24-11-5-2-6-12-24)30(27)19-20-35-26-14-8-7-13-25(26)29(30)34/h1-18,27H,19-20H2/t27-,30-/m1/s1
InChI key:
NEHFHEHEALOTSV-POURPWNDSA-N
SMILES:
Brc1ccc(cc1)[C@@H]1C(=NN(c2ccccc2)[C@@]21CCSc1ccccc1C2=O)c1ccccc1
Systematic name (3):
(4R)-2′,5′-ジフェニル-4′α-(4-ブロモフェニル)-2,2′,3,4′-テトラヒドロスピロ[1-ベンゾチエピン-4(5H),3′-[3H]ピラゾール]-5-オン
(4R,4'S)-4'-(4-ブロモフェニル)-2',5'-ジフェニル-2',3,4',5-テトラヒドロ-2H-スピロ[1-ベンゾチエピン-4,3'-ピラゾール]-5-オン
(4R,4'S)-4'-(4-bromophenyl)-2',5'-diphenyl-2',3,4',5-tetrahydro-2H-spiro[1-benzothiepine-4,3'-pyrazol]-5-one
Other name (1):
(4R)-2′,5′-Diphenyl-4′α-(4-bromophenyl)-2,2′,3,4′-tetrahydrospiro[1-benzothiepin-4(5H),3′-[3H]pyrazole]-5-one
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