N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]-2-(2-phenylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]-2-[(2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-nitrophenyl)-N-[(3-nitrophenyl)methyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-nitrobenzyl)-N-(3-nitrophenyl)-2-[(2-phenylquinazolin-4-yl)thio]acetamide Formula: C29H21N5O5S MolecularWeight: 551.57254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)N(CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21N5O5S/c35-27(19-40-29-25-14-4-5-15-26(25)30-28(31-29)21-9-2-1-3-10-21)32(22-11-7-13-24(17-22)34(38)39)18-20-8-6-12-23(16-20)33(36)37/h1-17H,18-19H2