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

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-p-anisyl-propionamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-16(24(30)27-15-17-7-13-20(31-2)14-8-17)32-25-22-6-4-3-5-21(22)23(28-29-25)18-9-11-19(26)12-10-18/h3-14,16H,15H2,1-2H3,(H,27,30)