4-[2-(4-dodecoxyphenoxy)sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[2-(4-dodecoxyphenoxy)sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[2-(4-dodecoxyphenoxy)sulfinylhydrazino]-2-(trifluoromethyl)quinazoline CAS Name: 4-[(4-dodecoxyphenoxy)sulfinylhydrazo]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[2-(4-dodecoxyphenoxy)sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[N'-(4-lauryloxyphenoxy)sulfinylhydrazino]-2-(trifluoromethyl)quinazoline Formula: C27H35F3N4O3S MolecularWeight: 552.65201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OS(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OS(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C27H35F3N4O3S/c1-2-3-4-5-6-7-8-9-10-13-20-36-21-16-18-22(19-17-21)37-38(35)34-33-25-23-14-11-12-15-24(23)31-26(32-25)27(28,29)30/h11-12,14-19,34H,2-10,13,20H2,1H3,(H,31,32,33)