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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C24H24FN3OS MolecularWeight: 421.530263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3OS/c25-19-12-10-18(11-13-19)23-20-8-4-5-9-21(20)24(28-27-23)30-16-22(29)26-15-14-17-6-2-1-3-7-17/h4-6,8-13H,1-3,7,14-16H2,(H,26,29)