(4-iodophenyl) 3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: (4-iodophenyl) 3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: (4-iodophenyl) 3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid (4-iodophenyl) ester Formula: C17H13IN2O3S MolecularWeight: 452.26619

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)I)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)I)NC1=S

InChI

InChI=1S/C17H13IN2O3S/c1-2-20-15(21)13-8-3-10(9-14(13)19-17(20)24)16(22)23-12-6-4-11(18)5-7-12/h3-9H,2H2,1H3,(H,19,24)