BX-2819
HIT217583619
sdf文件结构编辑类似物检索
HIT ID: HIT217583619
Cas No: 1184181-50-7
分子式: C21H24N4O4S
分子量: 428.51
常用名: BX-2819
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: ethyl N-[(4-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl}phenyl)methyl]carbamate
IUPAC: ethyl N-[(4-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl}phenyl)methyl]carbamate
SMILES: CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc(C(C)C)c(O)cc1O
SMILES: CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc(C(C)C)c(O)cc1O
InChI key: VVLULBZUIUWMQM-UHFFFAOYSA-N
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