6-iodanyl-2-(3-nitropyridin-2-yl)sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-(3-nitropyridin-2-yl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(3-nitro-2-pyridyl)sulfanyl]quinazolin-4-one CAS Name: 6-iodo-2-[(3-nitro-2-pyridinyl)thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-(3-nitropyridin-2-yl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(3-nitro-2-pyridyl)thio]quinazolin-4-one Formula: C20H13IN4O3S MolecularWeight: 516.31169

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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=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H13IN4O3S/c21-14-8-9-16-15(11-14)19(26)24(12-13-5-2-1-3-6-13)20(23-16)29-18-17(25(27)28)7-4-10-22-18/h1-11H,12H2