N-(3,4-diethoxyphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)F)OCC

InChI

InChI=1S/C21H22FN3O3S/c1-3-27-18-9-8-16(13-19(18)28-4-2)24-20(26)14-29-21-23-10-11-25(21)17-7-5-6-15(22)12-17/h5-13H,3-4,14H2,1-2H3,(H,24,26)