3-(3-chloranyl-4-methyl-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3-chloro-4-methyl-benzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3-chloro-4-methylphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3-chloro-4-methylbenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(3-chloro-4-methyl-benzoyl)-6-iodo-2-thioxo-quinazolin-4-olate Formula: C16H9ClIN2O2S- MolecularWeight: 455.67733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])Cl

InChI

InChI=1S/C16H10ClIN2O2S/c1-8-2-3-9(6-12(8)17)14(21)20-15(22)11-7-10(18)4-5-13(11)19-16(20)23/h2-7,22H,1H3/p-1