3-(4-iodophenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(4-iodophenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-iodobenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-iodophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-iodobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-iodobenzoyl)-2-thioxo-quinazolin-4-olate Formula: C15H8IN2O2S- MolecularWeight: 407.20569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)C(=O)C3=CC=C(C=C3)I)[O-]

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)C(=O)C3=CC=C(C=C3)I)[O-]

InChI

InChI=1S/C15H9IN2O2S/c16-10-7-5-9(6-8-10)13(19)18-14(20)11-3-1-2-4-12(11)17-15(18)21/h1-8,20H/p-1