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

Systemtic Name: 3-(2-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-(o-tolyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-(o-tolyl)-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S

InChI

InChI=1S/C16H12N2O3S/c1-9-4-2-3-5-13(9)18-14(19)11-7-6-10(15(20)21)8-12(11)17-16(18)22/h2-8H,1H3,(H,17,22)(H,20,21)