2-[[5-(6-bromanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(6-bromanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(6-bromo-4-oxo-2-phenyl-3-quinazolinyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(6-bromo-4-oxo-2-phenylquinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(6-bromo-4-keto-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C18H11BrN4O3S2 MolecularWeight: 475.33894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=NN=C(S4)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=NN=C(S4)SCC(=O)O

InChI

InChI=1S/C18H11BrN4O3S2/c19-11-6-7-13-12(8-11)16(26)23(15(20-13)10-4-2-1-3-5-10)17-21-22-18(28-17)27-9-14(24)25/h1-8H,9H2,(H,24,25)