6,8-bis(chloranyl)-3-hexanoyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6,8-bis(chloranyl)-3-hexanoyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6,8-dichloro-3-hexanoyl-2-thioxo-quinazolin-4-olate CAS Name: 6,8-dichloro-3-(1-oxohexyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6,8-dichloro-3-hexanoyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-caproyl-6,8-dichloro-2-thioxo-quinazolin-4-olate Formula: C14H13Cl2N2O2S- MolecularWeight: 344.23622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=C2C=C(C=C(C2=NC1=S)Cl)Cl)[O-]

Isomeric SMILES

CCCCCC(=O)N1C(=C2C=C(C=C(C2=NC1=S)Cl)Cl)[O-]

InChI

InChI=1S/C14H14Cl2N2O2S/c1-2-3-4-5-11(19)18-13(20)9-6-8(15)7-10(16)12(9)17-14(18)21/h6-7,20H,2-5H2,1H3/p-1