3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pentyl]urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pentyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pentyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylthio)pentyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pentyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylthio)pentyl]urea Formula: C21H31F2N5OS MolecularWeight: 439.565546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC=NN1)C(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC=NN1)C(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C21H31F2N5OS/c1-2-3-4-5-7-12-28(13-8-6-9-14-30-20-24-16-25-27-20)21(29)26-19-11-10-17(22)15-18(19)23/h10-11,15-16H,2-9,12-14H2,1H3,(H,26,29)(H,24,25,27)