2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-(p-tolylmethylsulfanyl)quinazolin-4-olate CAS Name: 2-[(4-methylphenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(4-methylbenzyl)thio]quinazolin-4-olate Formula: C16H13N2OS- MolecularWeight: 281.35222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)10-20-16-17-14-5-3-2-4-13(14)15(19)18-16/h2-9H,10H2,1H3,(H,17,18,19)/p-1