3-[2,4-bis(fluoranyl)phenyl]-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentyl]-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentyl]-1-heptyl-urea Openeye Name: 3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentyl]-1-heptyl-urea CAS Name: 3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]pentyl]-1-heptylurea IUPAC Name: 3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentyl]-1-heptylurea Traditional Name: 3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]pentyl]-1-heptyl-urea Formula: C33H39F2N5OS MolecularWeight: 591.757466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C33H39F2N5OS/c1-2-3-4-5-13-22-39(32(41)36-30-21-20-27(34)25-29(30)35)23-14-8-15-24-42-33-38-37-31(26-16-9-6-10-17-26)40(33)28-18-11-7-12-19-28/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,36,41)