3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[(2,3,4-trimethoxyphenyl)methyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-(2,3,4-trimethoxybenzyl)imidazole-4-carboxamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OC)OC

InChI

InChI=1S/C21H22FN3O4S/c1-27-17-10-5-13(18(28-2)19(17)29-3)11-23-20(26)16-12-24-21(30-4)25(16)15-8-6-14(22)7-9-15/h5-10,12H,11H2,1-4H3,(H,23,26)