5-methyl-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid

Systemtic Name: 5-methyl-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid Openeye Name: 5-methyl-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoic acid CAS Name: 5-methyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid IUPAC Name: 5-methyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-5-methyl-benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)C(=O)O

InChI

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