N-(2-methyl-5-nitro-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O3S/c1-17-11-13-20(31(33)34)15-23(17)28-24(32)16-35-27-22-14-12-18-7-5-6-10-21(18)25(22)29-26(30-27)19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,28,32)