N-tert-butyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C27H26FN3OS MolecularWeight: 459.578243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26FN3OS/c1-27(2,3)31(17-19-9-5-4-6-10-19)24(32)18-33-26-23-12-8-7-11-22(23)25(29-30-26)20-13-15-21(28)16-14-20/h4-16H,17-18H2,1-3H3