6-iodanyl-3-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-iodanyl-3-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-iodo-3-[(E)-3-phenylprop-2-enoyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-iodo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-iodo-3-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-iodo-3-[(E)-3-phenylacryloyl]-2-thioxo-quinazolin-4-olate Formula: C17H10IN2O2S- MolecularWeight: 433.24297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11IN2O2S/c18-12-7-8-14-13(10-12)16(22)20(17(23)19-14)15(21)9-6-11-4-2-1-3-5-11/h1-10,22H/p-1/b9-6+