4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carboxylate Formula: C12H11N2O3S- MolecularWeight: 263.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])NC1=S

InChI

InChI=1S/C12H12N2O3S/c1-2-5-14-10(15)8-4-3-7(11(16)17)6-9(8)13-12(14)18/h3-4,6H,2,5H2,1H3,(H,13,18)(H,16,17)/p-1