2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]quinazoline-4-carboxylic acid Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H16N2O3S/c1-2-12-7-9-13(10-8-12)16(22)11-25-19-20-15-6-4-3-5-14(15)17(21-19)18(23)24/h3-10H,2,11H2,1H3,(H,23,24)