4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoic acid

Systemtic Name: 4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoic acid Openeye Name: 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoic acid CAS Name: 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)thio]benzoic acid IUPAC Name: 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoic acid Traditional Name: 4-[(4-keto-2,6-dimethyl-1H-quinazolin-5-yl)thio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC=C(C=C3)C(=O)O

InChI

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