2-(2,4-dinitrophenyl)sulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-iodo-quinazolin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-iodoquinazolin-4-one Traditional Name: 3-benzyl-2-[(2,4-dinitrophenyl)thio]-6-iodo-quinazolin-4-one Formula: C21H13IN4O5S MolecularWeight: 560.32119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13IN4O5S/c22-14-6-8-17-16(10-14)20(27)24(12-13-4-2-1-3-5-13)21(23-17)32-19-9-7-15(25(28)29)11-18(19)26(30)31/h1-11H,12H2