3-[(2-fluoranylphenoxy)methyl]-5-(9H-fluoren-9-ylsulfanyl)-4-hexyl-1,2,4-triazole

Systemtic Name: 3-[(2-fluoranylphenoxy)methyl]-5-(9H-fluoren-9-ylsulfanyl)-4-hexyl-1,2,4-triazole Openeye Name: 3-(9H-fluoren-9-ylsulfanyl)-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole CAS Name: 3-(9H-fluoren-9-ylthio)-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole IUPAC Name: 3-(9H-fluoren-9-ylsulfanyl)-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Traditional Name: 3-(9H-fluoren-9-ylthio)-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Formula: C28H28FN3OS MolecularWeight: 473.604823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC2C3=CC=CC=C3C4=CC=CC=C24)COC5=CC=CC=C5F

Isomeric SMILES

CCCCCCN1C(=NN=C1SC2C3=CC=CC=C3C4=CC=CC=C24)COC5=CC=CC=C5F

InChI

InChI=1S/C28H28FN3OS/c1-2-3-4-11-18-32-26(19-33-25-17-10-9-16-24(25)29)30-31-28(32)34-27-22-14-7-5-12-20(22)21-13-6-8-15-23(21)27/h5-10,12-17,27H,2-4,11,18-19H2,1H3