3-hexanoyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-hexanoyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-hexanoyl-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 6-iodo-3-(1-oxohexyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-hexanoyl-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-caproyl-6-iodo-2-thioxo-quinazolin-4-olate Formula: C14H14IN2O2S- MolecularWeight: 401.24263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=C2C=C(C=CC2=NC1=S)I)[O-]

Isomeric SMILES

CCCCCC(=O)N1C(=C2C=C(C=CC2=NC1=S)I)[O-]

InChI

InChI=1S/C14H15IN2O2S/c1-2-3-4-5-12(18)17-13(19)10-8-9(15)6-7-11(10)16-14(17)20/h6-8,19H,2-5H2,1H3/p-1