2-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]quinazolin-4-olate Openeye Name: 2-[2-(4-isopropoxyphenoxy)ethylsulfanyl]quinazolin-4-olate CAS Name: 2-[2-(4-propan-2-yloxyphenoxy)ethylthio]-4-quinazolinolate IUPAC Name: 2-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]quinazolin-4-olate Traditional Name: 2-[2-(4-isopropoxyphenoxy)ethylthio]quinazolin-4-olate Formula: C19H19N2O3S- MolecularWeight: 355.43076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-13(2)24-15-9-7-14(8-10-15)23-11-12-25-19-20-17-6-4-3-5-16(17)18(22)21-19/h3-10,13H,11-12H2,1-2H3,(H,20,21,22)/p-1