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

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(2-nitrophenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(2-nitrobenzyl)thio]quinazolin-4-olate Formula: C15H10N3O3S- MolecularWeight: 312.3232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O3S/c19-14-11-6-2-3-7-12(11)16-15(17-14)22-9-10-5-1-4-8-13(10)18(20)21/h1-8H,9H2,(H,16,17,19)/p-1