2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-methyl-4-oxo-3-quinazolinyl)methylthio]benzoic acid IUPAC Name: 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-keto-2-methyl-quinazolin-3-yl)methylthio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11-18-14-8-4-2-6-12(14)16(20)19(11)10-23-15-9-5-3-7-13(15)17(21)22/h2-9H,10H2,1H3,(H,21,22)