6-iodanyl-2-(phenylmethylsulfanyl)quinazolin-4-olate

Systemtic Name: 6-iodanyl-2-(phenylmethylsulfanyl)quinazolin-4-olate Openeye Name: 2-benzylsulfanyl-6-iodo-quinazolin-4-olate CAS Name: 6-iodo-2-(phenylmethylthio)-4-quinazolinolate IUPAC Name: 2-benzylsulfanyl-6-iodoquinazolin-4-olate Traditional Name: 2-(benzylthio)-6-iodo-quinazolin-4-olate Formula: C15H10IN2OS- MolecularWeight: 393.22217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

InChI

InChI=1S/C15H11IN2OS/c16-11-6-7-13-12(8-11)14(19)18-15(17-13)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18,19)/p-1