4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoic acid CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16)