N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-(3,4-diethoxyphenyl)-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OCC

InChI

InChI=1S/C21H22FN3O3S/c1-4-27-18-11-8-15(12-19(18)28-5-2)24-20(26)17-13-23-21(29-3)25(17)16-9-6-14(22)7-10-16/h6-13H,4-5H2,1-3H3,(H,24,26)