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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C18888
pubchemid 124489560
name Prothioconazole
formula C14H15Cl2N3OS
structure
Isomeric_Smiles CC1=CC(=CC(=C1S(=O)(=O)N(C)[C@@H]2CCNC2)C)OC
Cannoical_Smiles CC1=CC(=CC(=C1S(=O)(=O)N(C)C2CCNC2)C)OC
Gotenzyme_Smiles OC(Cc1ccccc1Cl)(Cn1nc[nH]c1=S)C1(Cl)CC1