2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-olate Formula: C17H10ClN4O2S- MolecularWeight: 369.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=NC(=NO3)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=NC(=NO3)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C17H11ClN4O2S/c18-11-7-5-10(6-8-11)15-20-14(24-22-15)9-25-17-19-13-4-2-1-3-12(13)16(23)21-17/h1-8H,9H2,(H,19,21,23)/p-1