(2-chloranyl-4-fluoranyl-phenyl)methyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl N-[(3-methyl-2-methylsulfanyl-imidazole-4-carbonyl)amino]carbamate CAS Name: N-[[[3-methyl-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]carbamic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl N-[(3-methyl-2-methylsulfanylimidazole-4-carbonyl)amino]carbamate Traditional Name: N-[[3-methyl-2-(methylthio)imidazole-4-carbonyl]amino]carbamic acid (2-chloro-4-fluoro-benzyl) ester Formula: C14H14ClFN4O3S MolecularWeight: 372.802363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC)C(=O)NNC(=O)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CN1C(=CN=C1SC)C(=O)NNC(=O)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H14ClFN4O3S/c1-20-11(6-17-13(20)24-2)12(21)18-19-14(22)23-7-8-3-4-9(16)5-10(8)15/h3-6H,7H2,1-2H3,(H,18,21)(H,19,22)