3-(3,4-dimethylphenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3,4-dimethylphenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3,4-dimethylbenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3,4-dimethylphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3,4-dimethylbenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(3,4-dimethylbenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate Formula: C17H12IN2O2S- MolecularWeight: 435.25885

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN2O2S/c1-9-3-4-11(7-10(9)2)15(21)20-16(22)13-8-12(18)5-6-14(13)19-17(20)23/h3-8,22H,1-2H3/p-1