6-nitro-3-phenyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-nitro-3-phenyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-nitro-3-phenyl-2-thioxo-quinazolin-4-olate CAS Name: 6-nitro-3-phenyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-nitro-3-phenyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-nitro-3-phenyl-2-thioxo-quinazolin-4-olate Formula: C14H8N3O3S- MolecularWeight: 298.29662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=C(C=CC3=NC2=S)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=C(C=CC3=NC2=S)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H9N3O3S/c18-13-11-8-10(17(19)20)6-7-12(11)15-14(21)16(13)9-4-2-1-3-5-9/h1-8,18H/p-1