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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

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