3-(1,3-benzodioxol-5-ylcarbonyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-piperonyloyl-2-thioxo-quinazolin-4-olate Formula: C16H9N2O4S- MolecularWeight: 325.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C4C=CC=CC4=NC3=S)[O-]

InChI

InChI=1S/C16H10N2O4S/c19-14(9-5-6-12-13(7-9)22-8-21-12)18-15(20)10-3-1-2-4-11(10)17-16(18)23/h1-7,20H,8H2/p-1