2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]quinazolin-4-olate Formula: C21H23N2OS- MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=N2)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=N2)[O-])C)C(C)(C)C

InChI

InChI=1S/C21H24N2OS/c1-13-10-15(21(3,4)5)11-14(2)17(13)12-25-20-22-18-9-7-6-8-16(18)19(24)23-20/h6-11H,12H2,1-5H3,(H,22,23,24)/p-1