N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O3S/c1-15(24(30)27-18-12-13-21(31-2)22(14-18)32-3)33-25-20-7-5-4-6-19(20)23(28-29-25)16-8-10-17(26)11-9-16/h4-15H,1-3H3,(H,27,30)