2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-31-20-12-6-17(7-13-20)14-15-27-23(30)16-32-25-22-5-3-2-4-21(22)24(28-29-25)18-8-10-19(26)11-9-18/h2-13H,14-16H2,1H3,(H,27,30)