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

Systemtic Name: 2-[[5-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-oxo-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-oxo-2-phenyl-3-quinazolinyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-oxo-2-phenylquinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-keto-2-phenyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C18H12N4O3S2 MolecularWeight: 396.44288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NN=C(S4)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NN=C(S4)SCC(=O)O

InChI

InChI=1S/C18H12N4O3S2/c23-14(24)10-26-18-21-20-17(27-18)22-15(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)16(22)25/h1-9H,10H2,(H,23,24)