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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C25H23FN4OS MolecularWeight: 446.539723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4OS/c1-16(24(31)27-19-12-14-20(15-13-19)30(2)3)32-25-22-7-5-4-6-21(22)23(28-29-25)17-8-10-18(26)11-9-17/h4-16H,1-3H3,(H,27,31)