(R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE

CAS号
64278-67-7
CCD编号
CCD01961161
分子式
C30 H26 N6 O3 S3
分子量
614.772

基本信息

产品名称: (R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
CAS: 64278-67-7
英文同义词: (R,E)-BENZHYDRYL 3-((1-METHYL-1H-TETRAZOL-5-YLTHIO)METHYL)-8-OXO-7-(P-TOLYLTHIOIMINO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
MDL号: MFCD12913611
氢键受体数量: 9
氢键供体数量: 0
Smile: Cc1ccc(cc1)S/N=C\2/[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4C)C(=O)OC(c5ccccc5)c6ccccc6
InChi: InChI=1S/C30H26N6O3S3/c1-19-13-15-23(16-14-19)42-32-24-27(37)36-25(22(17-40-28(24)36)18-41-30-31-33-34-35(30)2)29(38)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,26,28H,17-18H2,1-2H3/b32-24+/t28-/m1/s1
InChiKey: InChIKey=OHDXOYHNWXYTAL-BQUQIILOSA-N

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