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1-((4-Benzhydrylpiperazin-1-yl)methyl)-4-methyl-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C27H29N5S |
Molecular weight | 455.62 |
MDL number | MFCD01995829 |
PubChem Substance ID【PubChem化学物质编号】 | 329827201 |
Other Notes【其他说明】 | Please note that sigma-aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. sigma-aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE. |
产品性质
SMILES string | S=C(N(C)C(C1=CC=CC=C1)=N2)N2CN3CCN(C(C4=CC=CC=C4)C5=CC=CC=C5)CC3 |
InChI | 1S/C27H29N5S/c1-29-26(24-15-9-4-10-16-24)28-32(27(29)33)21-30-17-19-31(20-18-30)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3 |
InChI key | BBDIKPXQGHEPPK-UHFFFAOYSA-N |
安全信息
Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
WGK | WGK 3 |