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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 C18587
pubchemid 124489261
name Methyl isothiocyanate
formula C2H3NS
structure
Isomeric_Smiles CNC[C@@H]1CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F
Cannoical_Smiles CNCC1CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F
Gotenzyme_Smiles CN=C=S