2-[2-(phenylmethylsulfanyl)quinazolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)quinazolin-4-yl]sulfanylethanoic acid Openeye Name: 2-(2-benzylsulfanylquinazolin-4-yl)sulfanylacetic acid CAS Name: 2-[[2-(phenylmethylthio)-4-quinazolinyl]thio]acetic acid IUPAC Name: 2-(2-benzylsulfanylquinazolin-4-yl)sulfanylacetic acid Traditional Name: 2-[[2-(benzylthio)quinazolin-4-yl]thio]acetic acid Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)SCC(=O)O

InChI

InChI=1S/C17H14N2O2S2/c20-15(21)11-22-16-13-8-4-5-9-14(13)18-17(19-16)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)