N-(3-chloranyl-2,6-diethyl-phenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H21ClFN3OS/c1-4-13-6-11-17(22)16(5-2)19(13)25-20(27)18-12-24-21(28-3)26(18)15-9-7-14(23)8-10-15/h6-12H,4-5H2,1-3H3,(H,25,27)