2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]-N-cyclooctyl-acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H32N4OS/c1-19-10-14-21(15-11-19)25-26(22-16-12-20(2)13-17-22)30-31-27(29-25)33-18-24(32)28-23-8-6-4-3-5-7-9-23/h10-17,23H,3-9,18H2,1-2H3,(H,28,32)