N-(4-ethoxyphenyl)-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(3-fluoro-4-methyl-phenyl)-3-oxo-pyrazin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(3-fluoro-4-methylphenyl)-3-oxo-2-pyrazinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(3-fluoro-4-methyl-phenyl)-3-keto-pyrazin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H20FN3O3S/c1-3-28-17-8-5-15(6-9-17)24-19(26)13-29-20-21(27)25(11-10-23-20)16-7-4-14(2)18(22)12-16/h4-12H,3,13H2,1-2H3,(H,24,26)