2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]quinazolin-4-olate Openeye Name: 2-[2-(2-isopropyl-4-methyl-phenoxy)ethylsulfanyl]quinazolin-4-olate CAS Name: 2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylthio]-4-quinazolinolate IUPAC Name: 2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]quinazolin-4-olate Traditional Name: 2-[2-(2-isopropyl-4-methyl-phenoxy)ethylthio]quinazolin-4-olate Formula: C20H21N2O2S- MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[O-])C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=N2)[O-])C(C)C

InChI

InChI=1S/C20H22N2O2S/c1-13(2)16-12-14(3)8-9-18(16)24-10-11-25-20-21-17-7-5-4-6-15(17)19(23)22-20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22,23)/p-1