3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[5-(6-phenylpyridazin-3-yl)sulfinylpentyl]urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[5-(6-phenylpyridazin-3-yl)sulfinylpentyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(6-phenylpyridazin-3-yl)sulfinylpentyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-[(6-phenyl-3-pyridazinyl)sulfinyl]pentyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(6-phenylpyridazin-3-yl)sulfinylpentyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(6-phenylpyridazin-3-yl)sulfinylpentyl]urea Formula: C29H36F2N4O2S MolecularWeight: 542.683546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCS(=O)C1=NN=C(C=C1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCCCCN(CCCCCS(=O)C1=NN=C(C=C1)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C29H36F2N4O2S/c1-2-3-4-5-10-19-35(29(36)32-27-16-15-24(30)22-25(27)31)20-11-7-12-21-38(37)28-18-17-26(33-34-28)23-13-8-6-9-14-23/h6,8-9,13-18,22H,2-5,7,10-12,19-21H2,1H3,(H,32,36)