4-oxidanylidene-3-(phenylmethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-4-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-(phenylmethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-4-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 3-benzyl-4-keto-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]quinazoline-7-carboxylic acid Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O4S/c30-23-19-12-11-18(24(31)32)13-20(19)26-25(29(23)14-16-7-3-1-4-8-16)34-15-21-27-28-22(33-21)17-9-5-2-6-10-17/h1-13H,14-15H2,(H,31,32)