3-(2-phenoxyethanoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2-phenoxyethanoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2-phenoxyacetyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-(1-oxo-2-phenoxyethyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2-phenoxyacetyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2-phenoxyacetyl)-2-thioxo-quinazolin-4-olate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O3S/c19-14(10-21-11-6-2-1-3-7-11)18-15(20)12-8-4-5-9-13(12)17-16(18)22/h1-9,20H,10H2/p-1