4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C12H9N2O3S- MolecularWeight: 261.27646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

InChI

InChI=1S/C12H10N2O3S/c1-2-5-14-10(15)8-4-3-7(11(16)17)6-9(8)13-12(14)18/h2-4,6H,1,5H2,(H,13,18)(H,16,17)/p-1