4-[2-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[2-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[2-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylhydrazino]-2-(trifluoromethyl)quinazoline CAS Name: 4-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylhydrazo]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[2-[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylhydrazinyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[N'-[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylhydrazino]-2-(trifluoromethyl)quinazoline Formula: C31H43F3N4O3S MolecularWeight: 608.75833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)NNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C31H43F3N4O3S/c1-7-8-9-10-11-14-19-40-25-18-17-22(30(5,6)21-29(2,3)4)20-26(25)41-42(39)38-37-27-23-15-12-13-16-24(23)35-28(36-27)31(32,33)34/h12-13,15-18,20,38H,7-11,14,19,21H2,1-6H3,(H,35,36,37)