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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C27H20BrN3OS MolecularWeight: 514.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)Br

InChI

InChI=1S/C27H20BrN3OS/c1-17-11-14-23(22(28)15-17)29-24(32)16-33-27-21-13-12-18-7-5-6-10-20(18)25(21)30-26(31-27)19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,29,32)