N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C21H13FN4OS2 MolecularWeight: 420.482523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13FN4OS2/c22-15-7-5-13(6-8-15)19-16-3-1-2-4-17(16)21(26-25-19)29-12-18(27)24-20-14(11-23)9-10-28-20/h1-10H,12H2,(H,24,27)