N-[2-(azepan-1-yl)phenyl]-2-[6-(2-fluorophenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[6-(2-fluorophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[6-(2-fluorophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[[6-(2-fluorophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[[6-(2-fluorophenyl)pyridazin-3-yl]thio]acetamide Formula: C24H25FN4OS MolecularWeight: 436.544903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4F

InChI

InChI=1S/C24H25FN4OS/c25-19-10-4-3-9-18(19)20-13-14-24(28-27-20)31-17-23(30)26-21-11-5-6-12-22(21)29-15-7-1-2-8-16-29/h3-6,9-14H,1-2,7-8,15-17H2,(H,26,30)