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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C23H21FN4OS MolecularWeight: 420.502443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4OS/c24-17-10-8-16(9-11-17)21-18-6-2-3-7-19(18)22(28-27-21)30-14-20(29)26-23(15-25)12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,26,29)