N-(3-chloranyl-2-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C27H20ClN3OS MolecularWeight: 469.9852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3OS/c1-17-22(28)12-7-13-23(17)29-24(32)16-33-27-21-15-14-18-8-5-6-11-20(18)25(21)30-26(31-27)19-9-3-2-4-10-19/h2-15H,16H2,1H3,(H,29,32)