8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoic acid

Systemtic Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoic acid Openeye Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoic acid CAS Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]octanoic acid IUPAC Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]octanoic acid Traditional Name: 8-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]caprylic acid Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c27-20(28)16-10-2-1-3-11-17-29-23-24-21(18-12-6-4-7-13-18)22(25-26-23)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,27,28)