N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: N-(2-ethoxyphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-o-phenetyl-propionamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-3-31-22-11-7-6-10-21(22)27-24(30)16(2)32-25-20-9-5-4-8-19(20)23(28-29-25)17-12-14-18(26)15-13-17/h4-16H,3H2,1-2H3,(H,27,30)