N-(3-iodanylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-iodanylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-iodophenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-iodophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-iodophenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-iodophenyl)-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H14IN3O2S MolecularWeight: 499.32423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)I)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)I)NC2=S

InChI

InChI=1S/C21H14IN3O2S/c22-14-5-4-6-15(12-14)23-19(26)13-9-10-17-18(11-13)24-21(28)25(20(17)27)16-7-2-1-3-8-16/h1-12H,(H,23,26)(H,24,28)