3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)C

InChI

InChI=1S/C17H14N2O3S/c1-9-4-3-5-14(10(9)2)19-15(20)12-7-6-11(16(21)22)8-13(12)18-17(19)23/h3-8H,1-2H3,(H,18,23)(H,21,22)