2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]quinazolin-4-olate Formula: C15H9Cl2N2OS- MolecularWeight: 336.21576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=C(C=C3)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=C(C=C3)Cl)Cl)[O-]

InChI

InChI=1S/C15H10Cl2N2OS/c16-11-6-5-9(7-12(11)17)8-21-15-18-13-4-2-1-3-10(13)14(20)19-15/h1-7H,8H2,(H,18,19,20)/p-1