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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-veratryl-imidazole-4-carboxamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-26-17-9-4-13(10-18(17)27-2)11-22-19(25)16-12-23-20(28-3)24(16)15-7-5-14(21)6-8-15/h4-10,12H,11H2,1-3H3,(H,22,25)